5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine

C16H13F3N4O3S — CID 20774115

IUPAC5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2cccnc2)nc1
InChIInChI=1S/C16H13F3N4O3S/c1-27(24,25)12-4-5-14(21-9-12)23-15(7-13(22-23)16(17,18)19)26-10-11-3-2-6-20-8-11/h2-9H,10H2,1H3
InChIKeyJBQDQFKXSDVLLO-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.66
Rot. Bonds5

About 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine

5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 20774115) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID20774115
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2cccnc2)nc1
InChIInChI=1S/C16H13F3N4O3S/c1-27(24,25)12-4-5-14(21-9-12)23-15(7-13(22-23)16(17,18)19)26-10-11-3-2-6-20-8-11/h2-9H,10H2,1H3
InChIKeyJBQDQFKXSDVLLO-UHFFFAOYSA-N
XLogP2.66
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(4-chlorophenyl)methoxy]-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 22499710
2-[[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]quinoline
CID 22499567
2-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10271182
N-butan-2-yl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499789
2-[5-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 12972729
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767
5-methylsulfonyl-2-[5-naphthalen-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 10477108
2-methyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]benzonitrile
CID 10179470
2-[5-(furan-2-yl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991483
4-[2-ethyl-4-[1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,3-thiazole
CID 20601434
2-[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 10431304
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 20774115) is 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2OCc2cccnc2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is JBQDQFKXSDVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c1-27(24,25)12-4-5-14(21-9-12)23-15(7-13(22-23)16(17,18)19)26-10-11-3-2-6-20-8-11/h2-9H,10H2,1H3.
What are the key properties of 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 398.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[5-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 20774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).