AA20127
1150164-68-3 | Ethyl 5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA20127
ChemicalName
Ethyl 5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
CasNumber
1150164-68-3
MolecularFormula
C14H14N4O2
MolecularWeight
270.2866
MdlNumber
MFCD09835733
Smiles
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1C
Complexity
405
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AA20127
ChemicalName: Ethyl 5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
CasNumber: 1150164-68-3
MolecularFormula: C14H14N4O2
MolecularWeight: 270.2866
MdlNumber: MFCD09835733
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1C
Complexity: 405
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AA20127
ChemicalName:
Ethyl 5-amino-4-cyano-1-o-tolylpyrazole-3-carboxylate
CasNumber:
1150164-68-3
MolecularFormula:
C14H14N4O2
MolecularWeight:
270.2866
MdlNumber:
MFCD09835733
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1C
Complexity:
405
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: AA20130
ChemicalName: 3-(3-Bromophenyl)-5-(dichloromethyl)-1,2,4-oxadiazole
CasNumber: 1150164-54-7
MolecularFormula: C9H5BrCl2N2O
MolecularWeight: 307.9588
MdlNumber: MFCD12026023
Smiles: Brc1cccc(c1)c1noc(n1)C(Cl)Cl
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AA20130
ChemicalName:
3-(3-Bromophenyl)-5-(dichloromethyl)-1,2,4-oxadiazole
CasNumber:
1150164-54-7
MolecularFormula:
C9H5BrCl2N2O
MolecularWeight:
307.9588
MdlNumber:
MFCD12026023
Smiles:
Brc1cccc(c1)c1noc(n1)C(Cl)Cl
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(c1)C(F)(F)F)c1ncccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(c1)C(F)(F)F)c1ncccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA20133
ChemicalName: Methyl 5-cyclopropyl-1-phenylpyrazole-4-carboxylate
CasNumber: 1150164-48-9
MolecularFormula: C14H14N2O2
MolecularWeight: 242.2732
MdlNumber: MFCD11855913
Smiles: COC(=O)c1cnn(c1C1CC1)c1ccccc1
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AA20133
ChemicalName:
Methyl 5-cyclopropyl-1-phenylpyrazole-4-carboxylate
CasNumber:
1150164-48-9
MolecularFormula:
C14H14N2O2
MolecularWeight:
242.2732
MdlNumber:
MFCD11855913
Smiles:
COC(=O)c1cnn(c1C1CC1)c1ccccc1
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.3