AC72714
964-42-1 | 1,3-Diphenyl-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC72714
ChemicalName
1,3-Diphenyl-1h-pyrazole-5-carboxylic acid
CasNumber
964-42-1
MolecularFormula
C16H12N2O2
MolecularWeight
264.2787
MdlNumber
MFCD00277726
Smiles
OC(=O)c1cc(nn1c1ccccc1)c1ccccc1
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AC72714
ChemicalName: 1,3-Diphenyl-1h-pyrazole-5-carboxylic acid
CasNumber: 964-42-1
MolecularFormula: C16H12N2O2
MolecularWeight: 264.2787
MdlNumber: MFCD00277726
Smiles: OC(=O)c1cc(nn1c1ccccc1)c1ccccc1
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AC72714
ChemicalName:
1,3-Diphenyl-1h-pyrazole-5-carboxylic acid
CasNumber:
964-42-1
MolecularFormula:
C16H12N2O2
MolecularWeight:
264.2787
MdlNumber:
MFCD00277726
Smiles:
OC(=O)c1cc(nn1c1ccccc1)c1ccccc1
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
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MolecularFormula: __
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Smiles: Cn1c(C)c2c(c1C)c(Cl)nnc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cn1c(C)c2c(c1C)c(Cl)nnc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)C=CC(=O)O.CCN(CCNC(=O)N(C(C)C)CCS(=O)(=O)c1ccccc1)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C=CC(=O)O.CCN(CCNC(=O)N(C(C)C)CCS(=O)(=O)c1ccccc1)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: C1COB(OC1)c1ccc(cc1)B1OCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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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:
C1COB(OC1)c1ccc(cc1)B1OCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__