3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine

C18H16N4 — CID 166849184

IUPAC3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine
SMILESCc1cccc2[nH]c(-c3cc(N)n(-c4ccccc4)n3)cc12
InChIInChI=1S/C18H16N4/c1-12-6-5-9-15-14(12)10-16(20-15)17-11-18(19)22(21-17)13-7-3-2-4-8-13/h2-11,20H,19H2,1H3
InChIKeyOBCDBIGWVGIPJU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.91
Rot. Bonds2

About 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine

3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine (PubChem CID 166849184) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine
PubChem CID166849184
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine
SMILESCc1cccc2[nH]c(-c3cc(N)n(-c4ccccc4)n3)cc12
InChIInChI=1S/C18H16N4/c1-12-6-5-9-15-14(12)10-16(20-15)17-11-18(19)22(21-17)13-7-3-2-4-8-13/h2-11,20H,19H2,1H3
InChIKeyOBCDBIGWVGIPJU-UHFFFAOYSA-N
XLogP3.91
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-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 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine (CID 166849184) is 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine is Cc1cccc2[nH]c(-c3cc(N)n(-c4ccccc4)n3)cc12.
What is the InChIKey of 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine?
The InChIKey is OBCDBIGWVGIPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-12-6-5-9-15-14(12)10-16(20-15)17-11-18(19)22(21-17)13-7-3-2-4-8-13/h2-11,20H,19H2,1H3.
What are the key properties of 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine?
3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-indol-2-yl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 166849184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).