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

C10H7ClF3N3O2S — CID 22499593

IUPAC2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C10H7ClF3N3O2S/c1-20(18,19)6-2-3-9(15-5-6)17-8(11)4-7(16-17)10(12,13)14/h2-5H,1H3
InChIKeyJAXIATRLNIJZJL-UHFFFAOYSA-N
MW325.70 g/mol
LogP2.34
Rot. Bonds2

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

2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 22499593) has the molecular formula C10H7ClF3N3O2S and a molecular weight of 325.70 g/mol. Its IUPAC name is 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID22499593
Molecular FormulaC10H7ClF3N3O2S
Molecular Weight325.70 g/mol
Exact Mass324.99
IUPAC Name2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2Cl)nc1
InChIInChI=1S/C10H7ClF3N3O2S/c1-20(18,19)6-2-3-9(15-5-6)17-8(11)4-7(16-17)10(12,13)14/h2-5H,1H3
InChIKeyJAXIATRLNIJZJL-UHFFFAOYSA-N
XLogP2.34
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 22499593) is 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2Cl)nc1.
What is the InChIKey of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is JAXIATRLNIJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O2S/c1-20(18,19)6-2-3-9(15-5-6)17-8(11)4-7(16-17)10(12,13)14/h2-5H,1H3.
What are the key properties of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 325.70 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 22499593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).