N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide

C18H13F4N3O3S — CID 142060179

IUPACN-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccccc2NC(=O)n2ccc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C18H13F4N3O3S/c1-29(27,28)11-6-7-12(14(19)10-11)13-4-2-3-5-15(13)23-17(26)25-9-8-16(24-25)18(20,21)22/h2-10H,1H3,(H,23,26)
InChIKeyZYGCMPHVHIYQPQ-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.19
Rot. Bonds3

About N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide

N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 142060179) has the molecular formula C18H13F4N3O3S and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID142060179
Molecular FormulaC18H13F4N3O3S
Molecular Weight427.38 g/mol
Exact Mass427.06
IUPAC NameN-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccccc2NC(=O)n2ccc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C18H13F4N3O3S/c1-29(27,28)11-6-7-12(14(19)10-11)13-4-2-3-5-15(13)23-17(26)25-9-8-16(24-25)18(20,21)22/h2-10H,1H3,(H,23,26)
InChIKeyZYGCMPHVHIYQPQ-UHFFFAOYSA-N
XLogP4.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-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 N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide (CID 142060179) is N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide is CS(=O)(=O)c1ccc(-c2ccccc2NC(=O)n2ccc(C(F)(F)F)n2)c(F)c1.
What is the InChIKey of N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is ZYGCMPHVHIYQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O3S/c1-29(27,28)11-6-7-12(14(19)10-11)13-4-2-3-5-15(13)23-17(26)25-9-8-16(24-25)18(20,21)22/h2-10H,1H3,(H,23,26).
What are the key properties of N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 427.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 142060179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).