1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole

C13H13N3 — CID 12006818

IUPAC1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
SMILESCc1cc(-c2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C13H13N3/c1-9-7-12(15-14-9)11-8-16(2)13-6-4-3-5-10(11)13/h3-8H,1-2H3,(H,14,15)
InChIKeyQSHBWHIHTUJOHJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.88
Rot. Bonds1

About 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole

1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole (PubChem CID 12006818) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
PubChem CID12006818
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
SMILESCc1cc(-c2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C13H13N3/c1-9-7-12(15-14-9)11-8-16(2)13-6-4-3-5-10(11)13/h3-8H,1-2H3,(H,14,15)
InChIKeyQSHBWHIHTUJOHJ-UHFFFAOYSA-N
XLogP2.88
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole 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

3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82487888
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82482196
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
3-(1-methylindol-3-yl)-1,2-oxazole
CID 12938679
1-methyl-3-(4-methylphenyl)indole
CID 58931542
4-methyl-6-(1-methylindol-3-yl)pyrimidine-2-carbaldehyde
CID 116894405
2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
CID 82487890
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 126806058
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole?
The IUPAC name of 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole (CID 12006818) is 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole.
What is the SMILES notation for 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole?
The canonical SMILES for 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole is Cc1cc(-c2cn(C)c3ccccc23)n[nH]1.
What is the InChIKey of 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole?
The InChIKey is QSHBWHIHTUJOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-7-12(15-14-9)11-8-16(2)13-6-4-3-5-10(11)13/h3-8H,1-2H3,(H,14,15).
What are the key properties of 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole?
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole has a molecular weight of 211.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole is sourced from PubChem (CID 12006818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).