AB27075
25016-20-0 | 1-Methyl-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB27075
ChemicalName
1-Methyl-1H-pyrazole-3-carboxylic acid
CasNumber
25016-20-0
MolecularFormula
C5H6N2O2
MolecularWeight
126.1133
MdlNumber
MFCD00464254
Smiles
Cn1ccc(n1)C(=O)O
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.1
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CatalogNumber: AB27075
ChemicalName: 1-Methyl-1H-pyrazole-3-carboxylic acid
CasNumber: 25016-20-0
MolecularFormula: C5H6N2O2
MolecularWeight: 126.1133
MdlNumber: MFCD00464254
Smiles: Cn1ccc(n1)C(=O)O
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB27075
ChemicalName:
1-Methyl-1H-pyrazole-3-carboxylic acid
CasNumber:
25016-20-0
MolecularFormula:
C5H6N2O2
MolecularWeight:
126.1133
MdlNumber:
MFCD00464254
Smiles:
Cn1ccc(n1)C(=O)O
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(C)n[nH]c1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(C)n[nH]c1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB27077
ChemicalName: Methyl 5-methyl-1h-pyrazole-3-carboxylate
CasNumber: 25016-17-5
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD03778987
Smiles: COC(=O)c1n[nH]c(c1)C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB27077
ChemicalName:
Methyl 5-methyl-1h-pyrazole-3-carboxylate
CasNumber:
25016-17-5
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD03778987
Smiles:
COC(=O)c1n[nH]c(c1)C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB27078
ChemicalName: 4-Acetylpyrazole
CasNumber: 25016-16-4
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD09878739
Smiles: CC(=O)c1c[nH]nc1
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AB27078
ChemicalName:
4-Acetylpyrazole
CasNumber:
25016-16-4
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD09878739
Smiles:
CC(=O)c1c[nH]nc1
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1