3-(1,3-diphenylpyrazol-5-yl)-1-methylindole

C24H19N3 — CID 631618

IUPAC3-(1,3-diphenylpyrazol-5-yl)-1-methylindole
SMILESCn1cc(-c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3/c1-26-17-21(20-14-8-9-15-23(20)26)24-16-22(18-10-4-2-5-11-18)25-27(24)19-12-6-3-7-13-19/h2-17H,1H3
InChIKeyUWDKUZIXHQZQGB-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.70
Rot. Bonds3

About 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole

3-(1,3-diphenylpyrazol-5-yl)-1-methylindole (PubChem CID 631618) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole.

Molecular Properties

Compound Name3-(1,3-diphenylpyrazol-5-yl)-1-methylindole
PubChem CID631618
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name3-(1,3-diphenylpyrazol-5-yl)-1-methylindole
SMILESCn1cc(-c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3/c1-26-17-21(20-14-8-9-15-23(20)26)24-16-22(18-10-4-2-5-11-18)25-27(24)19-12-6-3-7-13-19/h2-17H,1H3
InChIKeyUWDKUZIXHQZQGB-UHFFFAOYSA-N
XLogP5.70
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole 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 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole?
The IUPAC name of 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole (CID 631618) is 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole.
What is the SMILES notation for 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole?
The canonical SMILES for 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole is Cn1cc(-c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole?
The InChIKey is UWDKUZIXHQZQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-26-17-21(20-14-8-9-15-23(20)26)24-16-22(18-10-4-2-5-11-18)25-27(24)19-12-6-3-7-13-19/h2-17H,1H3.
What are the key properties of 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole?
3-(1,3-diphenylpyrazol-5-yl)-1-methylindole has a molecular weight of 349.44 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylpyrazol-5-yl)-1-methylindole is sourced from PubChem (CID 631618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).