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

C17H14F3N3O2S — CID 18624133

IUPAC2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S/c1-11-15(12-6-4-3-5-7-12)23(22-16(11)17(18,19)20)14-9-8-13(10-21-14)26(2,24)25/h3-10H,1-2H3
InChIKeyISXFEWVMWMKWRT-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.67
Rot. Bonds3

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

2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 18624133) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID18624133
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S/c1-11-15(12-6-4-3-5-7-12)23(22-16(11)17(18,19)20)14-9-8-13(10-21-14)26(2,24)25/h3-10H,1-2H3
InChIKeyISXFEWVMWMKWRT-UHFFFAOYSA-N
XLogP3.67
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 18624133) is 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is Cc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1-c1ccccc1.
What is the InChIKey of 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is ISXFEWVMWMKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-11-15(12-6-4-3-5-7-12)23(22-16(11)17(18,19)20)14-9-8-13(10-21-14)26(2,24)25/h3-10H,1-2H3.
What are the key properties of 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 381.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 18624133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).