4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine

C17H17N3 — CID 123700183

IUPAC4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
SMILESCCc1ccc(-c2cnn(Cc3ccncc3)c2)cc1
InChIInChI=1S/C17H17N3/c1-2-14-3-5-16(6-4-14)17-11-19-20(13-17)12-15-7-9-18-10-8-15/h3-11,13H,2,12H2,1H3
InChIKeyGBDMIGCCNYCDBZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds4

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

4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine (PubChem CID 123700183) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
PubChem CID123700183
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
SMILESCCc1ccc(-c2cnn(Cc3ccncc3)c2)cc1
InChIInChI=1S/C17H17N3/c1-2-14-3-5-16(6-4-14)17-11-19-20(13-17)12-15-7-9-18-10-8-15/h3-11,13H,2,12H2,1H3
InChIKeyGBDMIGCCNYCDBZ-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]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-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine (CID 123700183) is 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine is CCc1ccc(-c2cnn(Cc3ccncc3)c2)cc1.
What is the InChIKey of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?
The InChIKey is GBDMIGCCNYCDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-14-3-5-16(6-4-14)17-11-19-20(13-17)12-15-7-9-18-10-8-15/h3-11,13H,2,12H2,1H3.
What are the key properties of 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine?
4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine has a molecular weight of 263.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 123700183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).