2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

C16H12F3N3O — CID 15956829

IUPAC2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
SMILESCOc1ccccc1-c1ccn(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3O/c1-23-14-7-3-2-5-11(14)13-8-10-22(21-13)15-12(16(17,18)19)6-4-9-20-15/h2-10H,1H3
InChIKeyIXCRKPUWUHGTSZ-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.96
Rot. Bonds3

About 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 15956829) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID15956829
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
SMILESCOc1ccccc1-c1ccn(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3O/c1-23-14-7-3-2-5-11(14)13-8-10-22(21-13)15-12(16(17,18)19)6-4-9-20-15/h2-10H,1H3
InChIKeyIXCRKPUWUHGTSZ-UHFFFAOYSA-N
XLogP3.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine (CID 15956829) is 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine is COc1ccccc1-c1ccn(-c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is IXCRKPUWUHGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-23-14-7-3-2-5-11(14)13-8-10-22(21-13)15-12(16(17,18)19)6-4-9-20-15/h2-10H,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 319.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 15956829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).