4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine

C17H14F3N3 — CID 143533843

IUPAC4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine
SMILESCc1cc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)ccn1
InChIInChI=1S/C17H14F3N3/c1-12-9-14(7-8-21-12)15-10-16(17(18,19)20)22-23(15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLLIMALNQBAHEOX-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.32
Rot. Bonds3

About 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine

4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine (PubChem CID 143533843) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine.

Molecular Properties

Compound Name4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine
PubChem CID143533843
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine
SMILESCc1cc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)ccn1
InChIInChI=1S/C17H14F3N3/c1-12-9-14(7-8-21-12)15-10-16(17(18,19)20)22-23(15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLLIMALNQBAHEOX-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine?
The IUPAC name of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine (CID 143533843) is 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine.
What is the SMILES notation for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine?
The canonical SMILES for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine is Cc1cc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)ccn1.
What is the InChIKey of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine?
The InChIKey is LLIMALNQBAHEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-12-9-14(7-8-21-12)15-10-16(17(18,19)20)22-23(15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine?
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine has a molecular weight of 317.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine is sourced from PubChem (CID 143533843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).