AA20126
1150164-70-7 | Methyl 1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA20126
ChemicalName
Methyl 1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate
CasNumber
1150164-70-7
MolecularFormula
C16H11BrClN3O2
MolecularWeight
392.6344
MdlNumber
MFCD11855922
Smiles
COC(=O)c1cnn(c1c1ccccc1Cl)c1ccc(cn1)Br
Complexity
428
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
4
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CatalogNumber: AA20126
ChemicalName: Methyl 1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate
CasNumber: 1150164-70-7
MolecularFormula: C16H11BrClN3O2
MolecularWeight: 392.6344
MdlNumber: MFCD11855922
Smiles: COC(=O)c1cnn(c1c1ccccc1Cl)c1ccc(cn1)Br
Complexity: 428
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 4
CatalogNumber:
AA20126
ChemicalName:
Methyl 1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate
CasNumber:
1150164-70-7
MolecularFormula:
C16H11BrClN3O2
MolecularWeight:
392.6344
MdlNumber:
MFCD11855922
Smiles:
COC(=O)c1cnn(c1c1ccccc1Cl)c1ccc(cn1)Br
Complexity:
428
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
4
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
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
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
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
RotatableBondCount:
2
Xlogp3:
3.6
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Smiles: Cc1nn(c(c1)C(F)(F)F)c1ncccc1Cl
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Smiles:
Cc1nn(c(c1)C(F)(F)F)c1ncccc1Cl
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