4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine

C11H10F3N3 — CID 119068697

IUPAC4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
SMILESCc1c(-c2ccncc2)c(C(F)(F)F)nn1C
InChIInChI=1S/C11H10F3N3/c1-7-9(8-3-5-15-6-4-8)10(11(12,13)14)16-17(7)2/h3-6H,1-2H3
InChIKeyWYKZCODZJMAJTE-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.81
Rot. Bonds1

About 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine

4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine (PubChem CID 119068697) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
PubChem CID119068697
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine
SMILESCc1c(-c2ccncc2)c(C(F)(F)F)nn1C
InChIInChI=1S/C11H10F3N3/c1-7-9(8-3-5-15-6-4-8)10(11(12,13)14)16-17(7)2/h3-6H,1-2H3
InChIKeyWYKZCODZJMAJTE-UHFFFAOYSA-N
XLogP2.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine (CID 119068697) is 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine is Cc1c(-c2ccncc2)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
The InChIKey is WYKZCODZJMAJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-7-9(8-3-5-15-6-4-8)10(11(12,13)14)16-17(7)2/h3-6H,1-2H3.
What are the key properties of 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine?
4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine has a molecular weight of 241.22 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 119068697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).