2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

C16H11ClF3N3O2S — CID 10135715

IUPAC2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(Cl)c2-c2ccccc2)nc1
InChIInChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3
InChIKeyIICKIGHIYRLUSO-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.01
Rot. Bonds3

About 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 10135715) has the molecular formula C16H11ClF3N3O2S and a molecular weight of 401.80 g/mol. Its IUPAC name is 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID10135715
Molecular FormulaC16H11ClF3N3O2S
Molecular Weight401.80 g/mol
Exact Mass401.02
IUPAC Name2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(Cl)c2-c2ccccc2)nc1
InChIInChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3
InChIKeyIICKIGHIYRLUSO-UHFFFAOYSA-N
XLogP4.01
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-Bromo-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 9911408
5-Methanesulfonyl-2-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 9947370
2-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 9968215
2-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10110609
{4-[2-(5-Methanesulfonyl-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-dimethyl-amine
CID 10136249
2-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10156830
2-[5-(4-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10157906
2-(5-(3-chloro-4-(thiazol-4-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10206329
5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-(methylsulfonyl)pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 10222314
2-[5-(4-Bromo-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10224435
2-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 10270065
2-(5-Cyclohexyl-3-trifluoromethyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 11349305

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 10135715) is 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(Cl)c2-c2ccccc2)nc1.
What is the InChIKey of 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is IICKIGHIYRLUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3.
What are the key properties of 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 401.80 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 10135715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).