AB45336
3273-44-7 | 3-Methyl-1h-pyrazole-5-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB45336
ChemicalName
3-Methyl-1h-pyrazole-5-carbaldehyde
CasNumber
3273-44-7
MolecularFormula
C5H6N2O
MolecularWeight
110.1139
MdlNumber
MFCD09055186
Smiles
Cc1cc(n[nH]1)C=O
Complexity
94.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AB45336
ChemicalName: 3-Methyl-1h-pyrazole-5-carbaldehyde
CasNumber: 3273-44-7
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD09055186
Smiles: Cc1cc(n[nH]1)C=O
Complexity: 94.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB45336
ChemicalName:
3-Methyl-1h-pyrazole-5-carbaldehyde
CasNumber:
3273-44-7
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD09055186
Smiles:
Cc1cc(n[nH]1)C=O
Complexity:
94.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AB45337
ChemicalName: Ethyl 5-methyl-1H-pyrrole-2-carboxylate
CasNumber: 3284-51-3
MolecularFormula: C8H11NO2
MolecularWeight: 153.1784
MdlNumber: MFCD01006731
Smiles: CCOC(=O)c1ccc([nH]1)C
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB45337
ChemicalName:
Ethyl 5-methyl-1H-pyrrole-2-carboxylate
CasNumber:
3284-51-3
MolecularFormula:
C8H11NO2
MolecularWeight:
153.1784
MdlNumber:
MFCD01006731
Smiles:
CCOC(=O)c1ccc([nH]1)C
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: AB45338
ChemicalName: 5-Methylfuran-2(5H)-one
CasNumber: 591-11-7
MolecularFormula: C5H6O2
MolecularWeight: 98.0999
MdlNumber: MFCD01725808
Smiles: CC1C=CC(=O)O1
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB45338
ChemicalName:
5-Methylfuran-2(5H)-one
CasNumber:
591-11-7
MolecularFormula:
C5H6O2
MolecularWeight:
98.0999
MdlNumber:
MFCD01725808
Smiles:
CC1C=CC(=O)O1
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AB45339
ChemicalName: 3-Methyl-5-nitro-1h-pyrazole
CasNumber: 34334-96-8
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00514181
Smiles: [O-][N+](=O)c1cc([nH]n1)C
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
AB45339
ChemicalName:
3-Methyl-5-nitro-1h-pyrazole
CasNumber:
34334-96-8
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00514181
Smiles:
[O-][N+](=O)c1cc([nH]n1)C
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.8