AH95353
89280-01-3 | 1-Methyl-1H-pyrazole-4-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AH95353
ChemicalName
1-Methyl-1H-pyrazole-4-carboxamide
CasNumber
89280-01-3
MolecularFormula
C5H7N3O
MolecularWeight
125.1286
MdlNumber
MFCD11643542
Smiles
Cn1ncc(c1)C(=O)N
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.9
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CatalogNumber: AH95353
ChemicalName: 1-Methyl-1H-pyrazole-4-carboxamide
CasNumber: 89280-01-3
MolecularFormula: C5H7N3O
MolecularWeight: 125.1286
MdlNumber: MFCD11643542
Smiles: Cn1ncc(c1)C(=O)N
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.9
CatalogNumber:
AH95353
ChemicalName:
1-Methyl-1H-pyrazole-4-carboxamide
CasNumber:
89280-01-3
MolecularFormula:
C5H7N3O
MolecularWeight:
125.1286
MdlNumber:
MFCD11643542
Smiles:
Cn1ncc(c1)C(=O)N
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.9
CatalogNumber: AH95354
ChemicalName: (1-Isopropyl-1H-pyrazol-4-yl)methanamine
CasNumber: 936940-09-9
MolecularFormula: C7H13N3
MolecularWeight: 139.1982
MdlNumber: MFCD08700560
Smiles: NCc1cnn(c1)C(C)C
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AH95354
ChemicalName:
(1-Isopropyl-1H-pyrazol-4-yl)methanamine
CasNumber:
936940-09-9
MolecularFormula:
C7H13N3
MolecularWeight:
139.1982
MdlNumber:
MFCD08700560
Smiles:
NCc1cnn(c1)C(C)C
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: AH95355
ChemicalName: 4-Chloro-3-ethylphenylboronic acid
CasNumber: 918810-94-3
MolecularFormula: C8H10BClO2
MolecularWeight: 184.4278
MdlNumber: MFCD10566599
Smiles: CCc1cc(ccc1Cl)B(O)O
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AH95355
ChemicalName:
4-Chloro-3-ethylphenylboronic acid
CasNumber:
918810-94-3
MolecularFormula:
C8H10BClO2
MolecularWeight:
184.4278
MdlNumber:
MFCD10566599
Smiles:
CCc1cc(ccc1Cl)B(O)O
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC[C@H](N(CC(=O)O)CC(=O)O)C(=O)O.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
NCCCC[C@H](N(CC(=O)O)CC(=O)O)C(=O)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__