AI49209
37622-89-2 | 5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI49209
ChemicalName
5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester
CasNumber
37622-89-2
MolecularFormula
C8H10N2O3
MolecularWeight
182.1766
MdlNumber
MFCD21362351
Smiles
CCOC(=O)c1[nH]nc(c1)C(=O)C
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.8
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CatalogNumber: AI49209
ChemicalName: 5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester
CasNumber: 37622-89-2
MolecularFormula: C8H10N2O3
MolecularWeight: 182.1766
MdlNumber: MFCD21362351
Smiles: CCOC(=O)c1[nH]nc(c1)C(=O)C
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AI49209
ChemicalName:
5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester
CasNumber:
37622-89-2
MolecularFormula:
C8H10N2O3
MolecularWeight:
182.1766
MdlNumber:
MFCD21362351
Smiles:
CCOC(=O)c1[nH]nc(c1)C(=O)C
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)C=Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)C=Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccncc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1nn(c(n1)Nc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Nc1nn(c(n1)Nc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__