AA09640
10250-64-3 | 1-Methyl-3-phenyl-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA09640
ChemicalName
1-Methyl-3-phenyl-1h-pyrazole-5-carboxylic acid
CasNumber
10250-64-3
MolecularFormula
C11H10N2O2
MolecularWeight
202.2093
MdlNumber
MFCD08271939
Smiles
OC(=O)c1cc(nn1C)c1ccccc1
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AA09640
ChemicalName: 1-Methyl-3-phenyl-1h-pyrazole-5-carboxylic acid
CasNumber: 10250-64-3
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD08271939
Smiles: OC(=O)c1cc(nn1C)c1ccccc1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AA09640
ChemicalName:
1-Methyl-3-phenyl-1h-pyrazole-5-carboxylic acid
CasNumber:
10250-64-3
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD08271939
Smiles:
OC(=O)c1cc(nn1C)c1ccccc1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AA09641
ChemicalName: Ethyl 1-Methyl-3-phenylpyrazole-5-carboxylate
CasNumber: 10250-63-2
MolecularFormula: C13H14N2O2
MolecularWeight: 230.26246000000003
MdlNumber: MFCD03933288
Smiles: CCOC(=O)c1cc(nn1C)c1ccccc1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA09641
ChemicalName:
Ethyl 1-Methyl-3-phenylpyrazole-5-carboxylate
CasNumber:
10250-63-2
MolecularFormula:
C13H14N2O2
MolecularWeight:
230.26246000000003
MdlNumber:
MFCD03933288
Smiles:
CCOC(=O)c1cc(nn1C)c1ccccc1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nn(c(c1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nn(c(c1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc(cc1C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nc(cc1C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__