AB27077
25016-17-5 | Methyl 5-methyl-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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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
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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
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