5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine

C22H20N4 — CID 66559475

IUPAC5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine
SMILESCc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C22H20N4/c1-16-7-5-6-10-21(16)18-11-19(14-23-13-18)24-15-20-12-22(26-25-20)17-8-3-2-4-9-17/h2-14,24H,15H2,1H3,(H,25,26)
InChIKeyFYIXOUOBQDEJBO-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.06
Rot. Bonds5

About 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine

5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine (PubChem CID 66559475) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine
PubChem CID66559475
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine
SMILESCc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C22H20N4/c1-16-7-5-6-10-21(16)18-11-19(14-23-13-18)24-15-20-12-22(26-25-20)17-8-3-2-4-9-17/h2-14,24H,15H2,1H3,(H,25,26)
InChIKeyFYIXOUOBQDEJBO-UHFFFAOYSA-N
XLogP5.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine 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 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine (CID 66559475) is 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine is Cc1ccccc1-c1cncc(NCc2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine?
The InChIKey is FYIXOUOBQDEJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-16-7-5-6-10-21(16)18-11-19(14-23-13-18)24-15-20-12-22(26-25-20)17-8-3-2-4-9-17/h2-14,24H,15H2,1H3,(H,25,26).
What are the key properties of 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine?
5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine has a molecular weight of 340.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 66559475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).