AB68777
76982-31-5 | 5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB68777
ChemicalName
5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole
CasNumber
76982-31-5
MolecularFormula
C11H9N5O2
MolecularWeight
243.2215
MdlNumber
MFCD10699682
Smiles
N#Cc1c(C)nn(c1N)c1ccc(cc1)[N+](=O)[O-]
Complexity
365
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB68777
ChemicalName: 5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole
CasNumber: 76982-31-5
MolecularFormula: C11H9N5O2
MolecularWeight: 243.2215
MdlNumber: MFCD10699682
Smiles: N#Cc1c(C)nn(c1N)c1ccc(cc1)[N+](=O)[O-]
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB68777
ChemicalName:
5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole
CasNumber:
76982-31-5
MolecularFormula:
C11H9N5O2
MolecularWeight:
243.2215
MdlNumber:
MFCD10699682
Smiles:
N#Cc1c(C)nn(c1N)c1ccc(cc1)[N+](=O)[O-]
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(c1)N)c1ccccc1
Complexity: 166
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(c1)N)c1ccccc1
Complexity:
166
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AB68779
ChemicalName: 5-Amino-3-pyridinecarbonitrile
CasNumber: 13600-47-0
MolecularFormula: C6H5N3
MolecularWeight: 119.124
MdlNumber: MFCD00000564
Smiles: Nc1cc(cnc1)C#N
Complexity: 135
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
AB68779
ChemicalName:
5-Amino-3-pyridinecarbonitrile
CasNumber:
13600-47-0
MolecularFormula:
C6H5N3
MolecularWeight:
119.124
MdlNumber:
MFCD00000564
Smiles:
Nc1cc(cnc1)C#N
Complexity:
135
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: AB68780
ChemicalName: 4-(2-Pyridinyl)-1h-pyrazol-5-amine
CasNumber: 493038-87-2
MolecularFormula: C8H8N4
MolecularWeight: 160.1759
MdlNumber: MFCD03617434
Smiles: Nc1[nH]ncc1c1ccccn1
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB68780
ChemicalName:
4-(2-Pyridinyl)-1h-pyrazol-5-amine
CasNumber:
493038-87-2
MolecularFormula:
C8H8N4
MolecularWeight:
160.1759
MdlNumber:
MFCD03617434
Smiles:
Nc1[nH]ncc1c1ccccn1
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.5