2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide

C17H15FN4O2 — CID 75493488

IUPAC2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide
SMILESCNC(=O)C(C#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C17H15FN4O2/c1-20-17(24)13(9-19)16(23)15-12-3-2-4-14(12)22(21-15)11-7-5-10(18)6-8-11/h5-8,13H,2-4H2,1H3,(H,20,24)
InChIKeyCXTYIOQAVUQSEE-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.57
Rot. Bonds4

About 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide

2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide (PubChem CID 75493488) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide
PubChem CID75493488
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide
SMILESCNC(=O)C(C#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C17H15FN4O2/c1-20-17(24)13(9-19)16(23)15-12-3-2-4-14(12)22(21-15)11-7-5-10(18)6-8-11/h5-8,13H,2-4H2,1H3,(H,20,24)
InChIKeyCXTYIOQAVUQSEE-UHFFFAOYSA-N
XLogP1.57
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide 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

1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55502618
1-(4-fluorophenyl)-N-[4-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17423592
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30480120
1-(4-fluorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25495208
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30839353

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide?
The IUPAC name of 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide (CID 75493488) is 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide.
What is the SMILES notation for 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide?
The canonical SMILES for 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide is CNC(=O)C(C#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide?
The InChIKey is CXTYIOQAVUQSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-20-17(24)13(9-19)16(23)15-12-3-2-4-14(12)22(21-15)11-7-5-10(18)6-8-11/h5-8,13H,2-4H2,1H3,(H,20,24).
What are the key properties of 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide?
2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide has a molecular weight of 326.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide is sourced from PubChem (CID 75493488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).