3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C21H19FN4O — CID 118484167

IUPAC3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H19FN4O/c1-14-12-16-4-2-3-5-20(16)26(14)11-10-23-21(27)19-13-18(24-25-19)15-6-8-17(22)9-7-15/h2-9,12-13H,10-11H2,1H3,(H,23,27)(H,24,25)
InChIKeyJYVPLGDJVHLVPI-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.91
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 118484167) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID118484167
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H19FN4O/c1-14-12-16-4-2-3-5-20(16)26(14)11-10-23-21(27)19-13-18(24-25-19)15-6-8-17(22)9-7-15/h2-9,12-13H,10-11H2,1H3,(H,23,27)(H,24,25)
InChIKeyJYVPLGDJVHLVPI-UHFFFAOYSA-N
XLogP3.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide 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

N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
3-(4-fluorophenyl)-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 74250613
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 119066173
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 94101680
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 118484167) is 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JYVPLGDJVHLVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14-12-16-4-2-3-5-20(16)26(14)11-10-23-21(27)19-13-18(24-25-19)15-6-8-17(22)9-7-15/h2-9,12-13H,10-11H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118484167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).