3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

C18H13ClF3N3O — CID 175455497

IUPAC3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13ClF3N3O/c1-10-15(16(25-24-10)13-7-2-3-8-14(13)19)17(26)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,26)(H,24,25)
InChIKeySICJIJWYFWLQED-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.31
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 175455497) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID175455497
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13ClF3N3O/c1-10-15(16(25-24-10)13-7-2-3-8-14(13)19)17(26)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,26)(H,24,25)
InChIKeySICJIJWYFWLQED-UHFFFAOYSA-N
XLogP5.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 175455497) is 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SICJIJWYFWLQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c1-10-15(16(25-24-10)13-7-2-3-8-14(13)19)17(26)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175455497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).