4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine

C16H15N3 — CID 99964690

IUPAC4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine
SMILESCc1cccc(Cn2ccc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H15N3/c1-13-3-2-4-14(11-13)12-19-10-7-16(18-19)15-5-8-17-9-6-15/h2-11H,12H2,1H3
InChIKeyYVEACGOARPNOTR-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

About 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine

4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine (PubChem CID 99964690) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine
PubChem CID99964690
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine
SMILESCc1cccc(Cn2ccc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H15N3/c1-13-3-2-4-14(11-13)12-19-10-7-16(18-19)15-5-8-17-9-6-15/h2-11H,12H2,1H3
InChIKeyYVEACGOARPNOTR-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 115593678
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
4-ethyl-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 9279467
4-bromo-3-iodo-1-[(3-methylphenyl)methyl]pyrazole
CID 79784801
(3-methylphenyl)methanamine;4-methylpyridine
CID 142051199
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole
CID 175294530
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
butane;4-(3-methylphenyl)pyridine
CID 155692257

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine (CID 99964690) is 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine is Cc1cccc(Cn2ccc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine?
The InChIKey is YVEACGOARPNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-3-2-4-14(11-13)12-19-10-7-16(18-19)15-5-8-17-9-6-15/h2-11H,12H2,1H3.
What are the key properties of 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine?
4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine has a molecular weight of 249.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 99964690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).