1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide

C20H20N4O2 — CID 75401892

IUPAC1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C20H20N4O2/c25-19-12-14(13-24(19)18-10-11-18)20(26)21-15-6-8-17(9-7-15)23-22-16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,21,26)/b23-22+
InChIKeyCCSLRAUHLPLYMJ-GHVJWSGMSA-N
MW348.41 g/mol
LogP4.05
Rot. Bonds5

About 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 75401892) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
PubChem CID75401892
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C20H20N4O2/c25-19-12-14(13-24(19)18-10-11-18)20(26)21-15-6-8-17(9-7-15)23-22-16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,21,26)/b23-22+
InChIKeyCCSLRAUHLPLYMJ-GHVJWSGMSA-N
XLogP4.05
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97082963
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide (CID 75401892) is 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CCSLRAUHLPLYMJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-12-14(13-24(19)18-10-11-18)20(26)21-15-6-8-17(9-7-15)23-22-16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,21,26)/b23-22+.
What are the key properties of 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 75401892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).