4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide

C24H17F4N3O2 — CID 46088019

IUPAC4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H17F4N3O2/c1-33-18-10-8-17(9-11-18)31-22(14-21(30-31)15-5-3-2-4-6-15)29-23(32)16-7-12-20(25)19(13-16)24(26,27)28/h2-14H,1H3,(H,29,32)
InChIKeyGYFYJRGYRZHURK-UHFFFAOYSA-N
MW455.41 g/mol
LogP5.96
Rot. Bonds5

About 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide (PubChem CID 46088019) has the molecular formula C24H17F4N3O2 and a molecular weight of 455.41 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide
PubChem CID46088019
Molecular FormulaC24H17F4N3O2
Molecular Weight455.41 g/mol
Exact Mass455.13
IUPAC Name4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H17F4N3O2/c1-33-18-10-8-17(9-11-18)31-22(14-21(30-31)15-5-3-2-4-6-15)29-23(32)16-7-12-20(25)19(13-16)24(26,27)28/h2-14H,1H3,(H,29,32)
InChIKeyGYFYJRGYRZHURK-UHFFFAOYSA-N
XLogP5.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid
CID 52943163
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(3-methoxyphenyl)-3-phenyl-1H-pyrazol-3-yl)benzamide
CID 11696353

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide (CID 46088019) is 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is GYFYJRGYRZHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2/c1-33-18-10-8-17(9-11-18)31-22(14-21(30-31)15-5-3-2-4-6-15)29-23(32)16-7-12-20(25)19(13-16)24(26,27)28/h2-14H,1H3,(H,29,32).
What are the key properties of 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 455.41 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46088019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).