1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide

C22H21ClN4O2 — CID 43058932

IUPAC1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C22H21ClN4O2/c23-18-3-1-4-20(14-18)26-15-17(13-21(26)28)22(29)24-11-9-16-5-7-19(8-6-16)27-12-2-10-25-27/h1-8,10,12,14,17H,9,11,13,15H2,(H,24,29)
InChIKeyYUTWBQUDDSBHPG-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.24
Rot. Bonds6

About 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide

1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 43058932) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID43058932
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)C1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C22H21ClN4O2/c23-18-3-1-4-20(14-18)26-15-17(13-21(26)28)22(29)24-11-9-16-5-7-19(8-6-16)27-12-2-10-25-27/h1-8,10,12,14,17H,9,11,13,15H2,(H,24,29)
InChIKeyYUTWBQUDDSBHPG-UHFFFAOYSA-N
XLogP3.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 134036092
(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 25345668
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18107857
1-(3-chlorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 55618843
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120668
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
N-[2-(3-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18190011
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
(3R)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727060
(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727059

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 43058932) is 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)C1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is YUTWBQUDDSBHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-18-3-1-4-20(14-18)26-15-17(13-21(26)28)22(29)24-11-9-16-5-7-19(8-6-16)27-12-2-10-25-27/h1-8,10,12,14,17H,9,11,13,15H2,(H,24,29).
What are the key properties of 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43058932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).