N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C21H18ClFN4O — CID 55595950

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H18ClFN4O/c1-12-8-20(27(26-12)16-5-3-4-14(22)9-16)25-21(28)11-17-13(2)24-19-7-6-15(23)10-18(17)19/h3-10,24H,11H2,1-2H3,(H,25,28)
InChIKeyPGBZARKPEDJIQH-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.94
Rot. Bonds4

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 55595950) has the molecular formula C21H18ClFN4O and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID55595950
Molecular FormulaC21H18ClFN4O
Molecular Weight396.85 g/mol
Exact Mass396.12
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H18ClFN4O/c1-12-8-20(27(26-12)16-5-3-4-14(22)9-16)25-21(28)11-17-13(2)24-19-7-6-15(23)10-18(17)19/h3-10,24H,11H2,1-2H3,(H,25,28)
InChIKeyPGBZARKPEDJIQH-UHFFFAOYSA-N
XLogP4.94
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide 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 N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 55595950) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1cc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is PGBZARKPEDJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O/c1-12-8-20(27(26-12)16-5-3-4-14(22)9-16)25-21(28)11-17-13(2)24-19-7-6-15(23)10-18(17)19/h3-10,24H,11H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 396.85 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 55595950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).