5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide

C11H16N4O2 — CID 71896956

IUPAC5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCCn2cccn2)N1
InChIInChI=1S/C11H16N4O2/c16-10-4-3-9(14-10)11(17)12-5-1-7-15-8-2-6-13-15/h2,6,8-9H,1,3-5,7H2,(H,12,17)(H,14,16)
InChIKeyUEKQGSUWWVSFOE-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.33
Rot. Bonds5

About 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide

5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 71896956) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID71896956
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCCn2cccn2)N1
InChIInChI=1S/C11H16N4O2/c16-10-4-3-9(14-10)11(17)12-5-1-7-15-8-2-6-13-15/h2,6,8-9H,1,3-5,7H2,(H,12,17)(H,14,16)
InChIKeyUEKQGSUWWVSFOE-UHFFFAOYSA-N
XLogP-0.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90508533
(2R)-5-oxo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94820968
(2R)-5-oxo-N-(3-phenothiazin-10-ylpropyl)pyrrolidine-2-carboxamide
CID 96559582
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
5-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrrolidine-2-carboxamide
CID 110743126
(2R)-N-(5-aminopentyl)-5-oxopyrrolidine-2-carboxamide
CID 170277204
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide (CID 71896956) is 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCCCn2cccn2)N1.
What is the InChIKey of 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is UEKQGSUWWVSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10-4-3-9(14-10)11(17)12-5-1-7-15-8-2-6-13-15/h2,6,8-9H,1,3-5,7H2,(H,12,17)(H,14,16).
What are the key properties of 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide?
5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71896956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).