5-(1-ethylpyrazol-4-yl)-2-methylpyridine

C11H13N3 — CID 58399288

IUPAC5-(1-ethylpyrazol-4-yl)-2-methylpyridine
SMILESCCn1cc(-c2ccc(C)nc2)cn1
InChIInChI=1S/C11H13N3/c1-3-14-8-11(7-13-14)10-5-4-9(2)12-6-10/h4-8H,3H2,1-2H3
InChIKeyJIRBCWWCKXIYIM-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.27
Rot. Bonds2

About 5-(1-ethylpyrazol-4-yl)-2-methylpyridine

5-(1-ethylpyrazol-4-yl)-2-methylpyridine (PubChem CID 58399288) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-2-methylpyridine
PubChem CID58399288
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-(1-ethylpyrazol-4-yl)-2-methylpyridine
SMILESCCn1cc(-c2ccc(C)nc2)cn1
InChIInChI=1S/C11H13N3/c1-3-14-8-11(7-13-14)10-5-4-9(2)12-6-10/h4-8H,3H2,1-2H3
InChIKeyJIRBCWWCKXIYIM-UHFFFAOYSA-N
XLogP2.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-methylpyridine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-methylpyridine (CID 58399288) is 5-(1-ethylpyrazol-4-yl)-2-methylpyridine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-2-methylpyridine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-2-methylpyridine is CCn1cc(-c2ccc(C)nc2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-2-methylpyridine?
The InChIKey is JIRBCWWCKXIYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-14-8-11(7-13-14)10-5-4-9(2)12-6-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-2-methylpyridine?
5-(1-ethylpyrazol-4-yl)-2-methylpyridine has a molecular weight of 187.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-2-methylpyridine is sourced from PubChem (CID 58399288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).