5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide

C22H23FN4O2 — CID 142680614

IUPAC5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C22H23FN4O2/c23-18-10-8-17(9-11-18)21-19(26-14-4-7-20(26)28)15-27(25-21)22(29)24-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,29)
InChIKeyDPCSXBZAWROJES-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.79
Rot. Bonds5

About 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 142680614) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID142680614
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1
InChIInChI=1S/C22H23FN4O2/c23-18-10-8-17(9-11-18)21-19(26-14-4-7-20(26)28)15-27(25-21)22(29)24-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,29)
InChIKeyDPCSXBZAWROJES-UHFFFAOYSA-N
XLogP2.79
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-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

5-(4-chlorophenyl)-N-[2-(4-chlorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)-3,4-dihydropyrazole-2-carboxamide
CID 142988270
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
1-[5-(4-chlorophenyl)-2-[2-(3,4-dichlorophenyl)acetyl]-3,4-dihydropyrazol-4-yl]pyrrolidin-2-one
CID 142988542
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide
CID 50902307
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
N-cyano-5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N'-(3,3,3-trifluoropropyl)-3,4-dihydropyrazole-2-carboximidamide
CID 142988285
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
5-(4-chlorophenyl)-N-cyano-4-(2-oxopiperazin-1-yl)-N'-(2-phenylethyl)-3,4-dihydropyrazole-2-carboximidamide
CID 87896222
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
N-(4-fluorophenyl)-5-[(3R)-1-(2-phenylethylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879290

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide (CID 142680614) is 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide is O=C(NCCc1ccccc1)N1CC(N2CCCC2=O)C(c2ccc(F)cc2)=N1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is DPCSXBZAWROJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-10-8-17(9-11-18)21-19(26-14-4-7-20(26)28)15-27(25-21)22(29)24-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,24,29).
What are the key properties of 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 142680614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).