AA20104
1150164-00-3 | Ethyl 5-amino-1-(2-chlorophenyl)-4-cyanopyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA20104
ChemicalName
Ethyl 5-amino-1-(2-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber
1150164-00-3
MolecularFormula
C13H11ClN4O2
MolecularWeight
290.705
MdlNumber
MFCD09835739
Smiles
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Cl
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AA20104
ChemicalName: Ethyl 5-amino-1-(2-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber: 1150164-00-3
MolecularFormula: C13H11ClN4O2
MolecularWeight: 290.705
MdlNumber: MFCD09835739
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Cl
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AA20104
ChemicalName:
Ethyl 5-amino-1-(2-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber:
1150164-00-3
MolecularFormula:
C13H11ClN4O2
MolecularWeight:
290.705
MdlNumber:
MFCD09835739
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Cl
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3
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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Smiles:
COC(=O)c1cnc(nc1c1cccc(c1)Cl)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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