3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C13H15F3N2 — CID 20728130

IUPAC3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1cccc2c(C(C)(C)C)c(C(F)(F)F)nn12
InChIInChI=1S/C13H15F3N2/c1-8-6-5-7-9-10(12(2,3)4)11(13(14,15)16)17-18(8)9/h5-7H,1-4H3
InChIKeyNHLFOZDFVXTKOE-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.96
Rot. Bonds

About 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 20728130) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID20728130
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCc1cccc2c(C(C)(C)C)c(C(F)(F)F)nn12
InChIInChI=1S/C13H15F3N2/c1-8-6-5-7-9-10(12(2,3)4)11(13(14,15)16)17-18(8)9/h5-7H,1-4H3
InChIKeyNHLFOZDFVXTKOE-UHFFFAOYSA-N
XLogP3.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
2-(2,4-Dimethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758072
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2760581
5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 10335064
1,3-Diphenyl-5-trifluoromethyl-1H-pyrazole
CID 11140750
4,5,6,7-Tetraphenyl-2,3-bis(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 318646
2-Fluoro-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 332941
Pyrazolo(1,5-a)quinoline, 2-phenyl-
CID 134447
2,3-Bis(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 12777793
1-Phenyl-3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
CID 15350115
2-(4-Fluorophenyl)pyrazolo[1,5-a]pyridine
CID 22174846
3,5-Dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole
CID 57385177

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 20728130) is 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is Cc1cccc2c(C(C)(C)C)c(C(F)(F)F)nn12.
What is the InChIKey of 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is NHLFOZDFVXTKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-8-6-5-7-9-10(12(2,3)4)11(13(14,15)16)17-18(8)9/h5-7H,1-4H3.
What are the key properties of 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 256.27 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 20728130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).