1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine

C9H11N3 — CID 91372867

IUPAC1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine
SMILESCN1C=CC=C(c2cn[nH]c2)C1
InChIInChI=1S/C9H11N3/c1-12-4-2-3-8(7-12)9-5-10-11-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyDJWNPBUWOQUADD-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.25
Rot. Bonds1

About 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine

1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine (PubChem CID 91372867) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine
PubChem CID91372867
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine
SMILESCN1C=CC=C(c2cn[nH]c2)C1
InChIInChI=1S/C9H11N3/c1-12-4-2-3-8(7-12)9-5-10-11-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyDJWNPBUWOQUADD-UHFFFAOYSA-N
XLogP1.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(1H-pyrazol-4-yl)-2H-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 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine?
The IUPAC name of 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine (CID 91372867) is 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine.
What is the SMILES notation for 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine?
The canonical SMILES for 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine is CN1C=CC=C(c2cn[nH]c2)C1.
What is the InChIKey of 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine?
The InChIKey is DJWNPBUWOQUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12-4-2-3-8(7-12)9-5-10-11-6-9/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine?
1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine has a molecular weight of 161.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrazol-4-yl)-2H-pyridine is sourced from PubChem (CID 91372867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).