AB35447
288251-65-0 | 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB35447
ChemicalName
1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CasNumber
288251-65-0
MolecularFormula
C11H9FN2O2
MolecularWeight
220.1998
MdlNumber
MFCD06408994
Smiles
Fc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB35447
ChemicalName: 1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CasNumber: 288251-65-0
MolecularFormula: C11H9FN2O2
MolecularWeight: 220.1998
MdlNumber: MFCD06408994
Smiles: Fc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB35447
ChemicalName:
1-(4-Fluorophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CasNumber:
288251-65-0
MolecularFormula:
C11H9FN2O2
MolecularWeight:
220.1998
MdlNumber:
MFCD06408994
Smiles:
Fc1ccc(cc1)n1nc(cc1C(=O)O)C
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: AB35448
ChemicalName: Ethyl 1-(4-fluorophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber: 288251-64-9
MolecularFormula: C13H13FN2O2
MolecularWeight: 248.2529
MdlNumber: MFCD06408993
Smiles: CCOC(=O)c1cc(nn1c1ccc(cc1)F)C
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AB35448
ChemicalName:
Ethyl 1-(4-fluorophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber:
288251-64-9
MolecularFormula:
C13H13FN2O2
MolecularWeight:
248.2529
MdlNumber:
MFCD06408993
Smiles:
CCOC(=O)c1cc(nn1c1ccc(cc1)F)C
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnn(c1)CC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnn(c1)CC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnn(c1C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnn(c1C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__