2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

C18H12F5N3O2 — CID 156654516

IUPAC2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
SMILESNC(=O)c1c(F)ccc(-c2ccn(Cc3ccc(O)cc3C(F)(F)F)n2)c1F
InChIInChI=1S/C18H12F5N3O2/c19-13-4-3-11(16(20)15(13)17(24)28)14-5-6-26(25-14)8-9-1-2-10(27)7-12(9)18(21,22)23/h1-7,27H,8H2,(H2,24,28)
InChIKeyHFWLFWZDSIPGBK-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.70
Rot. Bonds4

About 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide

2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (PubChem CID 156654516) has the molecular formula C18H12F5N3O2 and a molecular weight of 397.30 g/mol. Its IUPAC name is 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
PubChem CID156654516
Molecular FormulaC18H12F5N3O2
Molecular Weight397.30 g/mol
Exact Mass397.08
IUPAC Name2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
SMILESNC(=O)c1c(F)ccc(-c2ccn(Cc3ccc(O)cc3C(F)(F)F)n2)c1F
InChIInChI=1S/C18H12F5N3O2/c19-13-4-3-11(16(20)15(13)17(24)28)14-5-6-26(25-14)8-9-1-2-10(27)7-12(9)18(21,22)23/h1-7,27H,8H2,(H2,24,28)
InChIKeyHFWLFWZDSIPGBK-UHFFFAOYSA-N
XLogP3.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

Gsk-7975A
CID 59547990
4-[3-(4-hydroxyphenyl)-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 137250412
(2-Fluoro-5-hydroxyphenyl)-[6-[4-methyl-3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 168971705
(2-Fluoro-5-hydroxyphenyl)-[6-[5-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 168971708
US20240308985, Comparator 495
CID 168971856
(2-Fluoro-5-hydroxyphenyl)-[6-[3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169771180
(2-Fluoro-5-hydroxyphenyl)-[6-[3-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169793622
(2-Fluoro-5-hydroxyphenyl)-[6-[4-methyl-5-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 172156219
US20240308985, Comparator 494
CID 172156226
US20240308985, Comparator 441
CID 172156294
N-[3-(4-hydroxyphenyl)-1-methylpyrazol-4-yl]-2-(trifluoromethyl)benzamide
CID 177660531
2-(2,6-Difluorophenyl)-1-[1-[[2-hydroxy-5-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
CID 58083576

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide (CID 156654516) is 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is NC(=O)c1c(F)ccc(-c2ccn(Cc3ccc(O)cc3C(F)(F)F)n2)c1F.
What is the InChIKey of 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
The InChIKey is HFWLFWZDSIPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O2/c19-13-4-3-11(16(20)15(13)17(24)28)14-5-6-26(25-14)8-9-1-2-10(27)7-12(9)18(21,22)23/h1-7,27H,8H2,(H2,24,28).
What are the key properties of 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide?
2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide has a molecular weight of 397.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 156654516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).