2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C21H20FN3O — CID 86955815

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1ccnn1Cc1ccccc1F
InChIInChI=1S/C21H20FN3O/c22-19-8-4-2-6-17(19)14-25-20(11-12-23-25)24-21(26)13-16-10-9-15-5-1-3-7-18(15)16/h1-8,11-12,16H,9-10,13-14H2,(H,24,26)
InChIKeyJHBCTBGRPVBWRF-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.13
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 86955815) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID86955815
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1ccnn1Cc1ccccc1F
InChIInChI=1S/C21H20FN3O/c22-19-8-4-2-6-17(19)14-25-20(11-12-23-25)24-21(26)13-16-10-9-15-5-1-3-7-18(15)16/h1-8,11-12,16H,9-10,13-14H2,(H,24,26)
InChIKeyJHBCTBGRPVBWRF-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-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

Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955324
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 86955650
N-[3-[[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 86894062
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 125175375
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 99714480
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95769926
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808571
N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955794

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 86955815) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(CC1CCc2ccccc21)Nc1ccnn1Cc1ccccc1F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is JHBCTBGRPVBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-19-8-4-2-6-17(19)14-25-20(11-12-23-25)24-21(26)13-16-10-9-15-5-1-3-7-18(15)16/h1-8,11-12,16H,9-10,13-14H2,(H,24,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 86955815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).