AF59687
401647-24-3 | 1-Benzyl-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF59687
ChemicalName
1-Benzyl-1h-pyrazole-4-carboxylic acid
CasNumber
401647-24-3
MolecularFormula
C11H10N2O2
MolecularWeight
202.2093
MdlNumber
MFCD05864591
Smiles
OC(=O)c1cnn(c1)Cc1ccccc1
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AF59687
ChemicalName: 1-Benzyl-1h-pyrazole-4-carboxylic acid
CasNumber: 401647-24-3
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD05864591
Smiles: OC(=O)c1cnn(c1)Cc1ccccc1
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AF59687
ChemicalName:
1-Benzyl-1h-pyrazole-4-carboxylic acid
CasNumber:
401647-24-3
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD05864591
Smiles:
OC(=O)c1cnn(c1)Cc1ccccc1
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: Nc1nnc(s1)Cc1ccccc1F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1nnc(s1)Cc1ccccc1F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)F)C(=O)CCC(=O)O
Complexity: __
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)F)C(=O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__