AI57842
864426-78-8 | 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI57842
ChemicalName
1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CasNumber
864426-78-8
MolecularFormula
C14H13F3N2O2
MolecularWeight
298.2604
MdlNumber
MFCD17193486
Smiles
CCOC(=O)c1cc(nn1C)c1ccc(cc1)C(F)(F)F
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AI57842
ChemicalName: 1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CasNumber: 864426-78-8
MolecularFormula: C14H13F3N2O2
MolecularWeight: 298.2604
MdlNumber: MFCD17193486
Smiles: CCOC(=O)c1cc(nn1C)c1ccc(cc1)C(F)(F)F
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AI57842
ChemicalName:
1-Methyl-3-[4-(trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CasNumber:
864426-78-8
MolecularFormula:
C14H13F3N2O2
MolecularWeight:
298.2604
MdlNumber:
MFCD17193486
Smiles:
CCOC(=O)c1cc(nn1C)c1ccc(cc1)C(F)(F)F
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: AI57843
ChemicalName: Ethyl 5-(4-chlorophenyl)-1-methyl-1h-pyrazole-3-carboxylate
CasNumber: 864426-88-0
MolecularFormula: C13H13ClN2O2
MolecularWeight: 264.7075
MdlNumber: MFCD08446156
Smiles: CCOC(=O)c1nn(c(c1)c1ccc(cc1)Cl)C
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AI57843
ChemicalName:
Ethyl 5-(4-chlorophenyl)-1-methyl-1h-pyrazole-3-carboxylate
CasNumber:
864426-88-0
MolecularFormula:
C13H13ClN2O2
MolecularWeight:
264.7075
MdlNumber:
MFCD08446156
Smiles:
CCOC(=O)c1nn(c(c1)c1ccc(cc1)Cl)C
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AI57844
ChemicalName: Methyl 2-amino-5-5-isobutylthiazole-4-carboxylate
CasNumber: 864437-22-9
MolecularFormula: C9H14N2O2S
MolecularWeight: 214.2847
MdlNumber: MFCD08064693
Smiles: COC(=O)c1nc(sc1CC(C)C)N
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AI57844
ChemicalName:
Methyl 2-amino-5-5-isobutylthiazole-4-carboxylate
CasNumber:
864437-22-9
MolecularFormula:
C9H14N2O2S
MolecularWeight:
214.2847
MdlNumber:
MFCD08064693
Smiles:
COC(=O)c1nc(sc1CC(C)C)N
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC2COCC(C1)N2)OC(C)(C)C
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2COCC(C1)N2)OC(C)(C)C
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2