AH87462
885-46-1 | 3-Methyl-1-p-tolyl-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH87462
ChemicalName
3-Methyl-1-p-tolyl-1h-pyrazole-5-carboxylic acid
CasNumber
885-46-1
MolecularFormula
C12H12N2O2
MolecularWeight
216.2359
MdlNumber
MFCD05150584
Smiles
Cc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AH87462
ChemicalName: 3-Methyl-1-p-tolyl-1h-pyrazole-5-carboxylic acid
CasNumber: 885-46-1
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD05150584
Smiles: Cc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AH87462
ChemicalName:
3-Methyl-1-p-tolyl-1h-pyrazole-5-carboxylic acid
CasNumber:
885-46-1
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD05150584
Smiles:
Cc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: NCCCN1CC(C)CC(C1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCCN1CC(C)CC(C1)C
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RotatableBondCount:
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Smiles: C1CCC(CN1)c1nnc2n1cccc2
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Xlogp3: __
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Smiles:
C1CCC(CN1)c1nnc2n1cccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Nc1ccccc1c1nc2ccccc2[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1ccccc1c1nc2ccccc2[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__