AA04075
100957-85-5 | 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA04075
ChemicalName
1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
CasNumber
100957-85-5
MolecularFormula
C15H18N2O2
MolecularWeight
258.3156
MdlNumber
MFCD02090479
Smiles
OC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AA04075
ChemicalName: 1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
CasNumber: 100957-85-5
MolecularFormula: C15H18N2O2
MolecularWeight: 258.3156
MdlNumber: MFCD02090479
Smiles: OC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AA04075
ChemicalName:
1-Benzyl-3-(tert-butyl)-1h-pyrazole-5-carboxylic acid
CasNumber:
100957-85-5
MolecularFormula:
C15H18N2O2
MolecularWeight:
258.3156
MdlNumber:
MFCD02090479
Smiles:
OC(=O)c1cc(nn1Cc1ccccc1)C(C)(C)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: __
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Smiles: OC(=O)C1CCN(CC1)Cc1c[nH]c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)C1CCN(CC1)Cc1c[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C(=C(N)C)C=CC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)C(=C(N)C)C=CC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: COc1cc(CN)ccc1OCc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(CN)ccc1OCc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__