AA94139
175277-11-9 | 3-(tert-Butyl)-1-methyl-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA94139
ChemicalName
3-(tert-Butyl)-1-methyl-1h-pyrazole-5-carboxylic acid
CasNumber
175277-11-9
MolecularFormula
C9H14N2O2
MolecularWeight
182.2197
MdlNumber
MFCD00173812
Smiles
OC(=O)c1cc(nn1C)C(C)(C)C
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AA94139
ChemicalName: 3-(tert-Butyl)-1-methyl-1h-pyrazole-5-carboxylic acid
CasNumber: 175277-11-9
MolecularFormula: C9H14N2O2
MolecularWeight: 182.2197
MdlNumber: MFCD00173812
Smiles: OC(=O)c1cc(nn1C)C(C)(C)C
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AA94139
ChemicalName:
3-(tert-Butyl)-1-methyl-1h-pyrazole-5-carboxylic acid
CasNumber:
175277-11-9
MolecularFormula:
C9H14N2O2
MolecularWeight:
182.2197
MdlNumber:
MFCD00173812
Smiles:
OC(=O)c1cc(nn1C)C(C)(C)C
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(c1)C(=O)Cl)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(c1)C(=O)Cl)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(c1)C(=O)O)C(C)(C)C
Complexity: 210
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(c1)C(=O)O)C(C)(C)C
Complexity:
210
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc(nn1C(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc(nn1C(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__