3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C18H13ClF3N3O — CID 9115824

IUPAC3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C18H13ClF3N3O/c19-13-8-6-12(7-9-13)15-10-16(17(26)23-11-18(20,21)22)25(24-15)14-4-2-1-3-5-14/h1-10H,11H2,(H,23,26)
InChIKeyXZJLELIYKWBILX-UHFFFAOYSA-N
MW379.77 g/mol
LogP4.48
Rot. Bonds4

About 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 9115824) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID9115824
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC Name3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C18H13ClF3N3O/c19-13-8-6-12(7-9-13)15-10-16(17(26)23-11-18(20,21)22)25(24-15)14-4-2-1-3-5-14/h1-10H,11H2,(H,23,26)
InChIKeyXZJLELIYKWBILX-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166201337
1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 45497134
3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
CID 46529777
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
CID 55815124
3-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 60604816
3-[[4-[[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]amino]benzoyl]amino]propanoic acid
CID 166202136
1-(4-chlorophenyl)-N-(3,3-diphenylpropyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42662908
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42660564
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
CID 24598199
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 9115824) is 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is XZJLELIYKWBILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c19-13-8-6-12(7-9-13)15-10-16(17(26)23-11-18(20,21)22)25(24-15)14-4-2-1-3-5-14/h1-10H,11H2,(H,23,26).
What are the key properties of 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 9115824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).