5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine

C16H12F3N3 — CID 167969599

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine
SMILESCn1cc(-c2ccc(-c3ccccc3)nc2)c(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3/c1-22-10-13(15(21-22)16(17,18)19)12-7-8-14(20-9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyXTKMWOFNVJLIMU-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.17
Rot. Bonds2

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine

5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine (PubChem CID 167969599) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine
PubChem CID167969599
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine
SMILESCn1cc(-c2ccc(-c3ccccc3)nc2)c(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N3/c1-22-10-13(15(21-22)16(17,18)19)12-7-8-14(20-9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyXTKMWOFNVJLIMU-UHFFFAOYSA-N
XLogP4.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine (CID 167969599) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine is Cn1cc(-c2ccc(-c3ccccc3)nc2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine?
The InChIKey is XTKMWOFNVJLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-22-10-13(15(21-22)16(17,18)19)12-7-8-14(20-9-12)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine?
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine has a molecular weight of 303.29 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine is sourced from PubChem (CID 167969599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).