(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide

C20H26N4O2 — CID 52726453

IUPAC(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O
InChIInChI=1S/C20H26N4O2/c1-3-16-7-4-5-8-18(16)24-14-17(11-19(24)25)20(26)21-12-15(2)13-23-10-6-9-22-23/h4-10,15,17H,3,11-14H2,1-2H3,(H,21,26)/t15-,17+/m1/s1
InChIKeyDGWGDKXVXULTHL-WBVHZDCISA-N
MW354.45 g/mol
LogP2.25
Rot. Bonds7

About (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 52726453) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID52726453
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O
InChIInChI=1S/C20H26N4O2/c1-3-16-7-4-5-8-18(16)24-14-17(11-19(24)25)20(26)21-12-15(2)13-23-10-6-9-22-23/h4-10,15,17H,3,11-14H2,1-2H3,(H,21,26)/t15-,17+/m1/s1
InChIKeyDGWGDKXVXULTHL-WBVHZDCISA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-ethylphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726455
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8603428
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide (CID 52726453) is (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1C[C@@H](C(=O)NC[C@@H](C)Cn2cccn2)CC1=O.
What is the InChIKey of (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DGWGDKXVXULTHL-WBVHZDCISA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-16-7-4-5-8-18(16)24-14-17(11-19(24)25)20(26)21-12-15(2)13-23-10-6-9-22-23/h4-10,15,17H,3,11-14H2,1-2H3,(H,21,26)/t15-,17+/m1/s1.
What are the key properties of (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52726453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).