AB43362
1072-84-0 | 1H-Imidazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43362
ChemicalName
1H-Imidazole-5-carboxylic acid
CasNumber
1072-84-0
MolecularFormula
C4H4N2O2
MolecularWeight
112.0868
MdlNumber
MFCD01365907
Smiles
OC(=O)c1c[nH]cn1
NscNumber
32340
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AB43362
ChemicalName: 1H-Imidazole-5-carboxylic acid
CasNumber: 1072-84-0
MolecularFormula: C4H4N2O2
MolecularWeight: 112.0868
MdlNumber: MFCD01365907
Smiles: OC(=O)c1c[nH]cn1
NscNumber: 32340
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AB43362
ChemicalName:
1H-Imidazole-5-carboxylic acid
CasNumber:
1072-84-0
MolecularFormula:
C4H4N2O2
MolecularWeight:
112.0868
MdlNumber:
MFCD01365907
Smiles:
OC(=O)c1c[nH]cn1
NscNumber:
32340
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: AB43363
ChemicalName: 1H-Pyrazole-1-carboxamidine, HCl
CasNumber: 4023-02-3
MolecularFormula: C4H7ClN4
MolecularWeight: 146.57818
MdlNumber: MFCD00210087
Smiles: NC(=N)n1cccn1.Cl
NscNumber: __
Complexity: 100
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB43363
ChemicalName:
1H-Pyrazole-1-carboxamidine, HCl
CasNumber:
4023-02-3
MolecularFormula:
C4H7ClN4
MolecularWeight:
146.57818
MdlNumber:
MFCD00210087
Smiles:
NC(=N)n1cccn1.Cl
NscNumber:
__
Complexity:
100
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB43364
ChemicalName: Pyrazole-4-boronic acid, pinacol ester
CasNumber: 269410-08-4
MolecularFormula: C9H15BN2O2
MolecularWeight: 194.0386
MdlNumber: MFCD13175115
Smiles: CC1(C)OB(OC1(C)C)c1c[nH]nc1
NscNumber: __
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB43364
ChemicalName:
Pyrazole-4-boronic acid, pinacol ester
CasNumber:
269410-08-4
MolecularFormula:
C9H15BN2O2
MolecularWeight:
194.0386
MdlNumber:
MFCD13175115
Smiles:
CC1(C)OB(OC1(C)C)c1c[nH]nc1
NscNumber:
__
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB43365
ChemicalName: 4-Cyanopyrazole
CasNumber: 31108-57-3
MolecularFormula: C4H3N3
MolecularWeight: 93.0867
MdlNumber: MFCD00040250
Smiles: N#Cc1c[nH]nc1
NscNumber: __
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
AB43365
ChemicalName:
4-Cyanopyrazole
CasNumber:
31108-57-3
MolecularFormula:
C4H3N3
MolecularWeight:
93.0867
MdlNumber:
MFCD00040250
Smiles:
N#Cc1c[nH]nc1
NscNumber:
__
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.2