3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine

C17H15F3N4O2S — CID 126736116

IUPAC3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1cc(-c2cc(C(F)(F)F)ccn2)n(C)n1
InChIInChI=1S/C17H15F3N4O2S/c1-3-27(25,26)15-5-4-7-22-16(15)13-10-14(24(2)23-13)12-9-11(6-8-21-12)17(18,19)20/h4-10H,3H2,1-2H3
InChIKeyBHJKVZQQLSYYSX-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.36
Rot. Bonds4

About 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine

3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine (PubChem CID 126736116) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
PubChem CID126736116
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1cc(-c2cc(C(F)(F)F)ccn2)n(C)n1
InChIInChI=1S/C17H15F3N4O2S/c1-3-27(25,26)15-5-4-7-22-16(15)13-10-14(24(2)23-13)12-9-11(6-8-21-12)17(18,19)20/h4-10H,3H2,1-2H3
InChIKeyBHJKVZQQLSYYSX-UHFFFAOYSA-N
XLogP3.36
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfonyl-2-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 126506777
2-chloro-5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]pyridin-3-amine
CID 140914175
N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine
CID 159537854
6-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,4,4,5,5-octafluoropentyl)pyrimidin-4-one
CID 121264763
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 90327224
5-(1,1-difluoroethyl)-2-(3-ethylsulfonyl-2-pyridinyl)-1-methylbenzimidazole
CID 90275847
3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
CID 138603848
tert-butyl N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-2-pyridinyl]carbamate
CID 135283262
5-(3-ethylsulfonyl-2-pyridinyl)-1-(2,2,3,3,3-pentafluoropropyl)pyrrolo[2,3-c]pyridine
CID 155102053
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619151
5-chloro-2-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3-pyridinyl]pyrimidine
CID 135273642
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
The IUPAC name of 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine (CID 126736116) is 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine is CCS(=O)(=O)c1cccnc1-c1cc(-c2cc(C(F)(F)F)ccn2)n(C)n1.
What is the InChIKey of 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
The InChIKey is BHJKVZQQLSYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-3-27(25,26)15-5-4-7-22-16(15)13-10-14(24(2)23-13)12-9-11(6-8-21-12)17(18,19)20/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine?
3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine has a molecular weight of 396.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 126736116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).