3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine

C13H14F3N3 — CID 58157388

IUPAC3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)nn1-c1cccnc1
InChIInChI=1S/C13H14F3N3/c1-12(2,3)11-7-10(13(14,15)16)18-19(11)9-5-4-6-17-8-9/h4-8H,1-3H3
InChIKeyBJFUKCOVLKEBHU-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.58
Rot. Bonds1

About 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine

3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 58157388) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID58157388
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)nn1-c1cccnc1
InChIInChI=1S/C13H14F3N3/c1-12(2,3)11-7-10(13(14,15)16)18-19(11)9-5-4-6-17-8-9/h4-8H,1-3H3
InChIKeyBJFUKCOVLKEBHU-UHFFFAOYSA-N
XLogP3.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 58157388) is 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine is CC(C)(C)c1cc(C(F)(F)F)nn1-c1cccnc1.
What is the InChIKey of 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is BJFUKCOVLKEBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-12(2,3)11-7-10(13(14,15)16)18-19(11)9-5-4-6-17-8-9/h4-8H,1-3H3.
What are the key properties of 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine?
3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 269.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 58157388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).