1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide

C22H20F2N4O3 — CID 55853844

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C22H20F2N4O3/c23-16-5-6-20(19(24)12-16)28-14-15(11-21(28)29)22(30)26-17-3-1-4-18(13-17)31-10-9-27-8-2-7-25-27/h1-8,12-13,15H,9-11,14H2,(H,26,30)
InChIKeyWGJPPOPMVKJSMG-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.23
Rot. Bonds7

About 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55853844) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID55853844
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C22H20F2N4O3/c23-16-5-6-20(19(24)12-16)28-14-15(11-21(28)29)22(30)26-17-3-1-4-18(13-17)31-10-9-27-8-2-7-25-27/h1-8,12-13,15H,9-11,14H2,(H,26,30)
InChIKeyWGJPPOPMVKJSMG-UHFFFAOYSA-N
XLogP3.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-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

N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55853989
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 55882138
1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783688
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-(2-pyridin-2-ylsulfanyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 95350696
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
1-(2,4-difluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46404012
N-(3-ethylphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686190
(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-3-carboxamide
CID 30822278
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide (CID 55853844) is 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(OCCn2cccn2)c1)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WGJPPOPMVKJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c23-16-5-6-20(19(24)12-16)28-14-15(11-21(28)29)22(30)26-17-3-1-4-18(13-17)31-10-9-27-8-2-7-25-27/h1-8,12-13,15H,9-11,14H2,(H,26,30).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).