2-(1,3,5-trimethylpyrazol-4-yl)pyridine

C11H13N3 — CID 91021592

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)pyridine
SMILESCc1nn(C)c(C)c1-c1ccccn1
InChIInChI=1S/C11H13N3/c1-8-11(9(2)14(3)13-8)10-6-4-5-7-12-10/h4-7H,1-3H3
InChIKeyJZBKQTFBAKCLII-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.10
Rot. Bonds1

About 2-(1,3,5-trimethylpyrazol-4-yl)pyridine

2-(1,3,5-trimethylpyrazol-4-yl)pyridine (PubChem CID 91021592) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)pyridine
PubChem CID91021592
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)pyridine
SMILESCc1nn(C)c(C)c1-c1ccccn1
InChIInChI=1S/C11H13N3/c1-8-11(9(2)14(3)13-8)10-6-4-5-7-12-10/h4-7H,1-3H3
InChIKeyJZBKQTFBAKCLII-UHFFFAOYSA-N
XLogP2.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)pyridine?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)pyridine (CID 91021592) is 2-(1,3,5-trimethylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)pyridine is Cc1nn(C)c(C)c1-c1ccccn1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)pyridine?
The InChIKey is JZBKQTFBAKCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-11(9(2)14(3)13-8)10-6-4-5-7-12-10/h4-7H,1-3H3.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)pyridine?
2-(1,3,5-trimethylpyrazol-4-yl)pyridine has a molecular weight of 187.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)pyridine is sourced from PubChem (CID 91021592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).