2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine

C13H17N3 — CID 123989835

IUPAC2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
SMILESCc1cc(C(C)(C)C)nn1-c1ccccn1
InChIInChI=1S/C13H17N3/c1-10-9-11(13(2,3)4)15-16(10)12-7-5-6-8-14-12/h5-9H,1-4H3
InChIKeyRTHQSYKGTKLYAA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.87
Rot. Bonds1

About 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine

2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine (PubChem CID 123989835) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
PubChem CID123989835
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
SMILESCc1cc(C(C)(C)C)nn1-c1ccccn1
InChIInChI=1S/C13H17N3/c1-10-9-11(13(2,3)4)15-16(10)12-7-5-6-8-14-12/h5-9H,1-4H3
InChIKeyRTHQSYKGTKLYAA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
3-tert-butyl-1-pyridin-2-ylpyrazole-5-carbonitrile
CID 58093568
3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
CID 102581187
3-tert-butyl-1-pyridin-2-ylpyrazole-5-sulfonyl chloride
CID 55071052
2-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)sulfanylacetic acid
CID 62409897
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728
2-(3-tert-butyl-5-methylpyrazol-1-yl)benzaldehyde
CID 71415975
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 56531464
ethane;2-(5-methylpyrazol-1-yl)pyridine
CID 90883598

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine?
The IUPAC name of 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine (CID 123989835) is 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine is Cc1cc(C(C)(C)C)nn1-c1ccccn1.
What is the InChIKey of 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine?
The InChIKey is RTHQSYKGTKLYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-9-11(13(2,3)4)15-16(10)12-7-5-6-8-14-12/h5-9H,1-4H3.
What are the key properties of 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine?
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine has a molecular weight of 215.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 123989835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).