N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide

C18H12F5N3O — CID 118335285

IUPACN-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(F)c(-n2ccc(NC(=O)c3ccccc3C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C18H12F5N3O/c1-10-8-13(19)16(14(20)9-10)26-7-6-15(25-26)24-17(27)11-4-2-3-5-12(11)18(21,22)23/h2-9H,1H3,(H,24,25,27)
InChIKeyYTPKGVPJAQZQDF-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide

N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 118335285) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID118335285
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC NameN-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(F)c(-n2ccc(NC(=O)c3ccccc3C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C18H12F5N3O/c1-10-8-13(19)16(14(20)9-10)26-7-6-15(25-26)24-17(27)11-4-2-3-5-12(11)18(21,22)23/h2-9H,1H3,(H,24,25,27)
InChIKeyYTPKGVPJAQZQDF-UHFFFAOYSA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide 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-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide (CID 118335285) is N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide is Cc1cc(F)c(-n2ccc(NC(=O)c3ccccc3C(F)(F)F)n2)c(F)c1.
What is the InChIKey of N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is YTPKGVPJAQZQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-10-8-13(19)16(14(20)9-10)26-7-6-15(25-26)24-17(27)11-4-2-3-5-12(11)18(21,22)23/h2-9H,1H3,(H,24,25,27).
What are the key properties of N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 381.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluoro-4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118335285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).