AB08254
19867-62-0 | 5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB08254
ChemicalName
5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester
CasNumber
19867-62-0
MolecularFormula
C13H15N3O2
MolecularWeight
245.2771
MdlNumber
MFCD00502757
Smiles
CCOC(=O)c1cnn(c1N)Cc1ccccc1
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.3
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CatalogNumber: AB08254
ChemicalName: 5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester
CasNumber: 19867-62-0
MolecularFormula: C13H15N3O2
MolecularWeight: 245.2771
MdlNumber: MFCD00502757
Smiles: CCOC(=O)c1cnn(c1N)Cc1ccccc1
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AB08254
ChemicalName:
5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester
CasNumber:
19867-62-0
MolecularFormula:
C13H15N3O2
MolecularWeight:
245.2771
MdlNumber:
MFCD00502757
Smiles:
CCOC(=O)c1cnn(c1N)Cc1ccccc1
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.3
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Smiles: c1ccc(cc1)CN1CCC2(CC1)OC2
Complexity: __
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Smiles:
c1ccc(cc1)CN1CCC2(CC1)OC2
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Smiles: Oc1cc(Cl)[nH]c(=O)c1C#N
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Oc1cc(Cl)[nH]c(=O)c1C#N
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Smiles: CCc1c(O)cc(=O)[nH]c1Cl
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Smiles:
CCc1c(O)cc(=O)[nH]c1Cl
Complexity:
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Covalently-bondedUnitCount:
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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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