AB27078
25016-16-4 | 4-Acetylpyrazole
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AB27079
ChemicalName: 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde
CasNumber: 25016-12-0
MolecularFormula: C6H8N2O
MolecularWeight: 124.1405
MdlNumber: MFCD00159635
Smiles: O=Cc1cn(nc1C)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB27079
ChemicalName:
1,3-Dimethyl-1H-pyrazole-4-carbaldehyde
CasNumber:
25016-12-0
MolecularFormula:
C6H8N2O
MolecularWeight:
124.1405
MdlNumber:
MFCD00159635
Smiles:
O=Cc1cn(nc1C)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AB27080
ChemicalName: 1-Methyl-1H-pyrazole-4-carbaldehyde
CasNumber: 25016-11-9
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD00460465
Smiles: O=Cc1cnn(c1)C
Complexity: 94.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AB27080
ChemicalName:
1-Methyl-1H-pyrazole-4-carbaldehyde
CasNumber:
25016-11-9
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD00460465
Smiles:
O=Cc1cnn(c1)C
Complexity:
94.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: AB27081
ChemicalName: 1,5-Dimethyl-1h-pyrazole-3-carbaldehyde
CasNumber: 25016-10-8
MolecularFormula: C6H8N2O
MolecularWeight: 124.1405
MdlNumber: MFCD04967221
Smiles: O=Cc1nn(c(c1)C)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB27081
ChemicalName:
1,5-Dimethyl-1h-pyrazole-3-carbaldehyde
CasNumber:
25016-10-8
MolecularFormula:
C6H8N2O
MolecularWeight:
124.1405
MdlNumber:
MFCD04967221
Smiles:
O=Cc1nn(c(c1)C)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.4