AB68294
437701-80-9 | 1H-Pyrazole-4-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AB68294
ChemicalName
1H-Pyrazole-4-carboxamide
CasNumber
437701-80-9
MolecularFormula
C4H5N3O
MolecularWeight
111.102
MdlNumber
MFCD10001535
Smiles
NC(=O)c1c[nH]nc1
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.9
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CatalogNumber: AB68294
ChemicalName: 1H-Pyrazole-4-carboxamide
CasNumber: 437701-80-9
MolecularFormula: C4H5N3O
MolecularWeight: 111.102
MdlNumber: MFCD10001535
Smiles: NC(=O)c1c[nH]nc1
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.9
CatalogNumber:
AB68294
ChemicalName:
1H-Pyrazole-4-carboxamide
CasNumber:
437701-80-9
MolecularFormula:
C4H5N3O
MolecularWeight:
111.102
MdlNumber:
MFCD10001535
Smiles:
NC(=O)c1c[nH]nc1
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ON=Cc1ccncc1
Complexity: 97.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ON=Cc1ccncc1
Complexity:
97.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AB68296
ChemicalName: Pyridine-4-boronic acid, pinacol ester
CasNumber: 181219-01-2
MolecularFormula: C11H16BNO2
MolecularWeight: 205.0612
MdlNumber: MFCD01319051
Smiles: CC1(C)OB(OC1(C)C)c1ccncc1
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB68296
ChemicalName:
Pyridine-4-boronic acid, pinacol ester
CasNumber:
181219-01-2
MolecularFormula:
C11H16BNO2
MolecularWeight:
205.0612
MdlNumber:
MFCD01319051
Smiles:
CC1(C)OB(OC1(C)C)c1ccncc1
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccncc1.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccncc1.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__