AA12424
113808-86-9 | 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA12424
ChemicalName
3,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CasNumber
113808-86-9
MolecularFormula
C6H8N2O2
MolecularWeight
140.13992
MdlNumber
MFCD00159642
Smiles
OC(=O)c1c(C)n[nH]c1C
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AA12424
ChemicalName: 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CasNumber: 113808-86-9
MolecularFormula: C6H8N2O2
MolecularWeight: 140.13992
MdlNumber: MFCD00159642
Smiles: OC(=O)c1c(C)n[nH]c1C
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AA12424
ChemicalName:
3,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CasNumber:
113808-86-9
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.13992
MdlNumber:
MFCD00159642
Smiles:
OC(=O)c1c(C)n[nH]c1C
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5
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Smiles: ClCC(=O)Nc1nnc(s1)c1cccc(c1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
ClCC(=O)Nc1nnc(s1)c1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CCOC(=O)C[C@@]1(C)C(=O)O[C@@H](N1C(=O)c1ccccc1)c1ccccc1
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:
__
MdlNumber:
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Smiles:
CCOC(=O)C[C@@]1(C)C(=O)O[C@@H](N1C(=O)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1C(=O)O[C@@H](N1C(=O)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1C(=O)O[C@@H](N1C(=O)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__