(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

C19H26N4O2 — CID 94030721

IUPAC(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc([C@@H]2CCCN2C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-25-17-9-7-16(8-10-17)18-6-3-15-23(18)19(24)20-11-4-13-22-14-5-12-21-22/h5,7-10,12,14,18H,2-4,6,11,13,15H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyLMNMGRGOMVJVLW-SFHVURJKSA-N
MW342.44 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 94030721) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID94030721
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc([C@@H]2CCCN2C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-25-17-9-7-16(8-10-17)18-6-3-15-23(18)19(24)20-11-4-13-22-14-5-12-21-22/h5,7-10,12,14,18H,2-4,6,11,13,15H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyLMNMGRGOMVJVLW-SFHVURJKSA-N
XLogP3.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-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

(2R)-2-(4-ethoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94058325
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
2-(4-ethoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 86914008
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94060177
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
tert-butyl N-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]carbamate
CID 51257063
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282
(2S)-2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 94048522
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide (CID 94030721) is (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide is CCOc1ccc([C@@H]2CCCN2C(=O)NCCCn2cccn2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is LMNMGRGOMVJVLW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-25-17-9-7-16(8-10-17)18-6-3-15-23(18)19(24)20-11-4-13-22-14-5-12-21-22/h5,7-10,12,14,18H,2-4,6,11,13,15H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide?
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94030721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).