AA20105
1150163-97-5 | Ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA20105
ChemicalName
Ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber
1150163-97-5
MolecularFormula
C13H11BrN4O2
MolecularWeight
335.156
MdlNumber
MFCD09835742
Smiles
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Br
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AA20105
ChemicalName: Ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber: 1150163-97-5
MolecularFormula: C13H11BrN4O2
MolecularWeight: 335.156
MdlNumber: MFCD09835742
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Br
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AA20105
ChemicalName:
Ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber:
1150163-97-5
MolecularFormula:
C13H11BrN4O2
MolecularWeight:
335.156
MdlNumber:
MFCD09835742
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Br
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AA20106
ChemicalName: Ethyl 5-amino-1-(3-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber: 1150163-94-2
MolecularFormula: C13H11BrN4O2
MolecularWeight: 335.156
MdlNumber: MFCD09835741
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)Br
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AA20106
ChemicalName:
Ethyl 5-amino-1-(3-bromophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber:
1150163-94-2
MolecularFormula:
C13H11BrN4O2
MolecularWeight:
335.156
MdlNumber:
MFCD09835741
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)Br
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
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Smiles: COC(=O)c1cnc(nc1c1cccc(c1)Cl)N
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COC(=O)c1cnc(nc1c1cccc(c1)Cl)N
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Smiles: OC1CCC(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2
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Smiles:
OC1CCC(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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