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

C15H11F3N4O3S — CID 22499732

IUPAC5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2Oc2cccnc2)nc1
InChIInChI=1S/C15H11F3N4O3S/c1-26(23,24)11-4-5-13(20-9-11)22-14(7-12(21-22)15(16,17)18)25-10-3-2-6-19-8-10/h2-9H,1H3
InChIKeySOKMTRQTWMIOAZ-UHFFFAOYSA-N
MW384.34 g/mol
LogP2.88
Rot. Bonds4

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

5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 22499732) has the molecular formula C15H11F3N4O3S and a molecular weight of 384.34 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID22499732
Molecular FormulaC15H11F3N4O3S
Molecular Weight384.34 g/mol
Exact Mass384.05
IUPAC Name5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2Oc2cccnc2)nc1
InChIInChI=1S/C15H11F3N4O3S/c1-26(23,24)11-4-5-13(20-9-11)22-14(7-12(21-22)15(16,17)18)25-10-3-2-6-19-8-10/h2-9H,1H3
InChIKeySOKMTRQTWMIOAZ-UHFFFAOYSA-N
XLogP2.88
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 22499732) is 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2Oc2cccnc2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is SOKMTRQTWMIOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S/c1-26(23,24)11-4-5-13(20-9-11)22-14(7-12(21-22)15(16,17)18)25-10-3-2-6-19-8-10/h2-9H,1H3.
What are the key properties of 5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-methylsulfonyl-2-[5-pyridin-3-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 384.34 g/mol, XLogP of 2.88, 4 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-yloxy-3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 22499732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).