3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine

C13H17N3 — CID 170927469

IUPAC3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine
SMILESCn1cc(C(C)(C)C)c(-c2cccnc2)n1
InChIInChI=1S/C13H17N3/c1-13(2,3)11-9-16(4)15-12(11)10-6-5-7-14-8-10/h5-9H,1-4H3
InChIKeyKJTURRHLKDQRIT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.78
Rot. Bonds1

About 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine

3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine (PubChem CID 170927469) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine
PubChem CID170927469
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine
SMILESCn1cc(C(C)(C)C)c(-c2cccnc2)n1
InChIInChI=1S/C13H17N3/c1-13(2,3)11-9-16(4)15-12(11)10-6-5-7-14-8-10/h5-9H,1-4H3
InChIKeyKJTURRHLKDQRIT-UHFFFAOYSA-N
XLogP2.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine?
The IUPAC name of 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine (CID 170927469) is 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine is Cn1cc(C(C)(C)C)c(-c2cccnc2)n1.
What is the InChIKey of 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine?
The InChIKey is KJTURRHLKDQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,3)11-9-16(4)15-12(11)10-6-5-7-14-8-10/h5-9H,1-4H3.
What are the key properties of 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine?
3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine has a molecular weight of 215.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 170927469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).