1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide

C22H22N4O2 — CID 55537345

IUPAC1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2=O)cc1
InChIInChI=1S/C22H22N4O2/c1-2-16-8-10-18(11-9-16)25-15-17(14-21(25)27)22(28)23-20-12-13-26(24-20)19-6-4-3-5-7-19/h3-13,17H,2,14-15H2,1H3,(H,23,24,28)
InChIKeyBVAICJASMCOSIB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.43
Rot. Bonds5

About 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide (PubChem CID 55537345) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide
PubChem CID55537345
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2=O)cc1
InChIInChI=1S/C22H22N4O2/c1-2-16-8-10-18(11-9-16)25-15-17(14-21(25)27)22(28)23-20-12-13-26(24-20)19-6-4-3-5-7-19/h3-13,17H,2,14-15H2,1H3,(H,23,24,28)
InChIKeyBVAICJASMCOSIB-UHFFFAOYSA-N
XLogP3.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)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

1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
1-(4-ethylphenyl)-5-oxo-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 112827657
(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102168
1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 134036092
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43063969
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438685
N-(3-chloro-2-pyridinyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75398639

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide (CID 55537345) is 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is BVAICJASMCOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-16-8-10-18(11-9-16)25-15-17(14-21(25)27)22(28)23-20-12-13-26(24-20)19-6-4-3-5-7-19/h3-13,17H,2,14-15H2,1H3,(H,23,24,28).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.43, 5 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-(1-phenylpyrazol-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).