2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile

C10H8N4 — CID 62487252

IUPAC2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
SMILESCc1ccn(-c2cc(C#N)ccn2)n1
InChIInChI=1S/C10H8N4/c1-8-3-5-14(13-8)10-6-9(7-11)2-4-12-10/h2-6H,1H3
InChIKeyGWUWUTYIQBTKDS-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.45
Rot. Bonds1

About 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile

2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile (PubChem CID 62487252) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
PubChem CID62487252
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
SMILESCc1ccn(-c2cc(C#N)ccn2)n1
InChIInChI=1S/C10H8N4/c1-8-3-5-14(13-8)10-6-9(7-11)2-4-12-10/h2-6H,1H3
InChIKeyGWUWUTYIQBTKDS-UHFFFAOYSA-N
XLogP1.45
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile (CID 62487252) is 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile is Cc1ccn(-c2cc(C#N)ccn2)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile?
The InChIKey is GWUWUTYIQBTKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-8-3-5-14(13-8)10-6-9(7-11)2-4-12-10/h2-6H,1H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile?
2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 62487252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).