3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide

C19H15F4N3O — CID 176510354

IUPAC3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide
SMILESCc1cccc(-n2nc(C)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15F4N3O/c1-11-4-3-5-16(6-11)26-17(7-12(2)25-26)24-18(27)13-8-14(19(21,22)23)10-15(20)9-13/h3-10H,1-2H3,(H,24,27)
InChIKeyQOIJRLLXAAOYTH-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.90
Rot. Bonds3

About 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide (PubChem CID 176510354) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide
PubChem CID176510354
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide
SMILESCc1cccc(-n2nc(C)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H15F4N3O/c1-11-4-3-5-16(6-11)26-17(7-12(2)25-26)24-18(27)13-8-14(19(21,22)23)10-15(20)9-13/h3-10H,1-2H3,(H,24,27)
InChIKeyQOIJRLLXAAOYTH-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11625160
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide (CID 176510354) is 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide is Cc1cccc(-n2nc(C)cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is QOIJRLLXAAOYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-11-4-3-5-16(6-11)26-17(7-12(2)25-26)24-18(27)13-8-14(19(21,22)23)10-15(20)9-13/h3-10H,1-2H3,(H,24,27).
What are the key properties of 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 377.34 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176510354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).