AC81132
93764-93-3 | Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC81132
ChemicalName
Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate
CasNumber
93764-93-3
MolecularFormula
C13H12N4O2
MolecularWeight
256.26
MdlNumber
MFCD00197038
Smiles
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1
Complexity
372
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AC81132
ChemicalName: Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate
CasNumber: 93764-93-3
MolecularFormula: C13H12N4O2
MolecularWeight: 256.26
MdlNumber: MFCD00197038
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AC81132
ChemicalName:
Ethyl 5-amino-4-cyano-1-phenylpyrazole-3-carboxylate
CasNumber:
93764-93-3
MolecularFormula:
C13H12N4O2
MolecularWeight:
256.26
MdlNumber:
MFCD00197038
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: CNCc1ccc(c2c1cccn2)OC
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Smiles:
CNCc1ccc(c2c1cccn2)OC
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Smiles: O=C(Nc1cccc(c1)N)CCN1CCOCC1
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O=C(Nc1cccc(c1)N)CCN1CCOCC1
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Smiles: CC=CC(=O)OC(Cc1ccccc1)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC=CC(=O)OC(Cc1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__