AA20097
1150164-23-0 | 6-(Cyclopropylamino)-5-nitroquinoline
Manufacturer: A2B Chem
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CatalogNumber
AA20097
ChemicalName
6-(Cyclopropylamino)-5-nitroquinoline
CasNumber
1150164-23-0
MolecularFormula
C12H11N3O2
MolecularWeight
229.2346
MdlNumber
MFCD12026014
Smiles
[O-][N+](=O)c1c(ccc2c1cccn2)NC1CC1
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AA20097
ChemicalName: 6-(Cyclopropylamino)-5-nitroquinoline
CasNumber: 1150164-23-0
MolecularFormula: C12H11N3O2
MolecularWeight: 229.2346
MdlNumber: MFCD12026014
Smiles: [O-][N+](=O)c1c(ccc2c1cccn2)NC1CC1
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA20097
ChemicalName:
6-(Cyclopropylamino)-5-nitroquinoline
CasNumber:
1150164-23-0
MolecularFormula:
C12H11N3O2
MolecularWeight:
229.2346
MdlNumber:
MFCD12026014
Smiles:
[O-][N+](=O)c1c(ccc2c1cccn2)NC1CC1
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AA20098
ChemicalName: Ethyl 5-amino-4-cyano-1-(2-fluorophenyl)pyrazole-3-carboxylate
CasNumber: 1150164-20-7
MolecularFormula: C13H11FN4O2
MolecularWeight: 274.2504
MdlNumber: MFCD09835736
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1F
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AA20098
ChemicalName:
Ethyl 5-amino-4-cyano-1-(2-fluorophenyl)pyrazole-3-carboxylate
CasNumber:
1150164-20-7
MolecularFormula:
C13H11FN4O2
MolecularWeight:
274.2504
MdlNumber:
MFCD09835736
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1F
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AA20099
ChemicalName: Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)pyrazole-3-carboxylate
CasNumber: 1150164-17-2
MolecularFormula: C13H11FN4O2
MolecularWeight: 274.2504
MdlNumber: MFCD09835735
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)F
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AA20099
ChemicalName:
Ethyl 5-amino-4-cyano-1-(3-fluorophenyl)pyrazole-3-carboxylate
CasNumber:
1150164-17-2
MolecularFormula:
C13H11FN4O2
MolecularWeight:
274.2504
MdlNumber:
MFCD09835735
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)F
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AA20100
ChemicalName: Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
CasNumber: 1150164-14-9
MolecularFormula: C14H14N4O3
MolecularWeight: 286.286
MdlNumber: MFCD09835750
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)OC
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AA20100
ChemicalName:
Ethyl 5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
CasNumber:
1150164-14-9
MolecularFormula:
C14H14N4O3
MolecularWeight:
286.286
MdlNumber:
MFCD09835750
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)OC
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.3