2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

C17H13ClF3N3O3S — CID 22499710

IUPAC2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H13ClF3N3O3S/c1-28(25,26)13-6-7-15(22-9-13)24-16(8-14(23-24)17(19,20)21)27-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
InChIKeyNHMGENRAHICJQX-UHFFFAOYSA-N
MW431.82 g/mol
LogP3.92
Rot. Bonds5

About 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 22499710) has the molecular formula C17H13ClF3N3O3S and a molecular weight of 431.82 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
PubChem CID22499710
Molecular FormulaC17H13ClF3N3O3S
Molecular Weight431.82 g/mol
Exact Mass431.03
IUPAC Name2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H13ClF3N3O3S/c1-28(25,26)13-6-7-15(22-9-13)24-16(8-14(23-24)17(19,20)21)27-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3
InChIKeyNHMGENRAHICJQX-UHFFFAOYSA-N
XLogP3.92
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10111401
2-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10112427
2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10135415
2-[5-(3-Chloro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10137637
2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158760
2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158761
1-(5-Methanesulfonyl-pyridin-2-yl)-5-(4-methylene-cyclohexylmethoxy)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile
CID 10160441
5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
CID 12972729
2-[3-Difluoromethyl-5-(4-methoxy-3-methyl-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 18624101
5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
CID 18624120
2-(5-Isopropoxy-3-trifluoromethyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 22499588
5-(2,2-Dimethylpropoxy)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10222731

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine (CID 22499710) is 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is NHMGENRAHICJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3S/c1-28(25,26)13-6-7-15(22-9-13)24-16(8-14(23-24)17(19,20)21)27-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine?
2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 431.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 22499710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).