5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide

C14H14N4O2 — CID 78981738

IUPAC5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(-n3cccn3)cc2)CN1
InChIInChI=1S/C14H14N4O2/c19-13-8-10(9-15-13)14(20)17-11-2-4-12(5-3-11)18-7-1-6-16-18/h1-7,10H,8-9H2,(H,15,19)(H,17,20)
InChIKeyANDHQGFUEARVEU-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.95
Rot. Bonds3

About 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 78981738) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID78981738
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(-n3cccn3)cc2)CN1
InChIInChI=1S/C14H14N4O2/c19-13-8-10(9-15-13)14(20)17-11-2-4-12(5-3-11)18-7-1-6-16-18/h1-7,10H,8-9H2,(H,15,19)(H,17,20)
InChIKeyANDHQGFUEARVEU-UHFFFAOYSA-N
XLogP0.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide (CID 78981738) is 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc(-n3cccn3)cc2)CN1.
What is the InChIKey of 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ANDHQGFUEARVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13-8-10(9-15-13)14(20)17-11-2-4-12(5-3-11)18-7-1-6-16-18/h1-7,10H,8-9H2,(H,15,19)(H,17,20).
What are the key properties of 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).