4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine

C21H21N5 — CID 29220026

IUPAC4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine
SMILESCc1ccn(CCn2ccc(-c3cccc(-c4cnccc4C)c3)n2)n1
InChIInChI=1S/C21H21N5/c1-16-6-9-22-15-20(16)18-4-3-5-19(14-18)21-8-11-26(24-21)13-12-25-10-7-17(2)23-25/h3-11,14-15H,12-13H2,1-2H3
InChIKeyTXUIGNZBWZDCCA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.13
Rot. Bonds5

About 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine

4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine (PubChem CID 29220026) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine
PubChem CID29220026
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine
SMILESCc1ccn(CCn2ccc(-c3cccc(-c4cnccc4C)c3)n2)n1
InChIInChI=1S/C21H21N5/c1-16-6-9-22-15-20(16)18-4-3-5-19(14-18)21-8-11-26(24-21)13-12-25-10-7-17(2)23-25/h3-11,14-15H,12-13H2,1-2H3
InChIKeyTXUIGNZBWZDCCA-UHFFFAOYSA-N
XLogP4.13
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]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 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine?
The IUPAC name of 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine (CID 29220026) is 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine?
The canonical SMILES for 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine is Cc1ccn(CCn2ccc(-c3cccc(-c4cnccc4C)c3)n2)n1.
What is the InChIKey of 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine?
The InChIKey is TXUIGNZBWZDCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-16-6-9-22-15-20(16)18-4-3-5-19(14-18)21-8-11-26(24-21)13-12-25-10-7-17(2)23-25/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine?
4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine has a molecular weight of 343.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-[1-[2-(3-methylpyrazol-1-yl)ethyl]pyrazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 29220026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).