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

C24H26N4O2 — CID 134036092

IUPAC1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCCc3ccc(-n4cccn4)cc3)CC2=O)cc1
InChIInChI=1S/C24H26N4O2/c1-2-18-4-8-21(9-5-18)27-17-20(16-23(27)29)24(30)25-14-12-19-6-10-22(11-7-19)28-15-3-13-26-28/h3-11,13,15,20H,2,12,14,16-17H2,1H3,(H,25,30)
InChIKeyZLSGXRCMQSIAMZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.15
Rot. Bonds7

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

1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 134036092) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID134036092
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCCc3ccc(-n4cccn4)cc3)CC2=O)cc1
InChIInChI=1S/C24H26N4O2/c1-2-18-4-8-21(9-5-18)27-17-20(16-23(27)29)24(30)25-14-12-19-6-10-22(11-7-19)28-15-3-13-26-28/h3-11,13,15,20H,2,12,14,16-17H2,1H3,(H,25,30)
InChIKeyZLSGXRCMQSIAMZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 43058932
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
(3S)-N-(2-acetamidoethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595737
N-[2-(ethylamino)ethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119506622
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 60545522
(3R)-N-(3-chloropropyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438680
1-(4-ethylphenyl)-5-oxo-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60552206
1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 90572176
1-(4-acetylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113188903
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 55537345
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 134036092) is 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCCc3ccc(-n4cccn4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZLSGXRCMQSIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-18-4-8-21(9-5-18)27-17-20(16-23(27)29)24(30)25-14-12-19-6-10-22(11-7-19)28-15-3-13-26-28/h3-11,13,15,20H,2,12,14,16-17H2,1H3,(H,25,30).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134036092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).