(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C24H26N4O2 — CID 52509395

IUPAC(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)Nc2ccnn2CCc2ccccc2)CC1=O
InChIInChI=1S/C24H26N4O2/c1-2-19-10-6-7-11-21(19)27-17-20(16-23(27)29)24(30)26-22-12-14-25-28(22)15-13-18-8-4-3-5-9-18/h3-12,14,20H,2,13,15-17H2,1H3,(H,26,30)/t20-/m1/s1
InChIKeyWHMRUTLKEKSLIZ-HXUWFJFHSA-N
MW402.50 g/mol
LogP3.68
Rot. Bonds7

About (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 52509395) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID52509395
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@H](C(=O)Nc2ccnn2CCc2ccccc2)CC1=O
InChIInChI=1S/C24H26N4O2/c1-2-19-10-6-7-11-21(19)27-17-20(16-23(27)29)24(30)26-22-12-14-25-28(22)15-13-18-8-4-3-5-9-18/h3-12,14,20H,2,13,15-17H2,1H3,(H,26,30)/t20-/m1/s1
InChIKeyWHMRUTLKEKSLIZ-HXUWFJFHSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-(2-butylpyrazol-3-yl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55674367
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 55600235
5-oxo-1-(2-phenylethyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 51145908
1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 78806628
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 119710942
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 52509395) is (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@H](C(=O)Nc2ccnn2CCc2ccccc2)CC1=O.
What is the InChIKey of (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is WHMRUTLKEKSLIZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-19-10-6-7-11-21(19)27-17-20(16-23(27)29)24(30)26-22-12-14-25-28(22)15-13-18-8-4-3-5-9-18/h3-12,14,20H,2,13,15-17H2,1H3,(H,26,30)/t20-/m1/s1.
What are the key properties of (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 52509395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).