4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one

C14H14N6O — CID 168658472

IUPAC4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C14H14N6O/c15-18-16-9-11-8-14(21)19(10-11)13-6-7-17-20(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2
InChIKeyAJZIDAPCQLZZDL-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.54
Rot. Bonds4

About 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 168658472) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID168658472
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C14H14N6O/c15-18-16-9-11-8-14(21)19(10-11)13-6-7-17-20(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2
InChIKeyAJZIDAPCQLZZDL-UHFFFAOYSA-N
XLogP2.54
TPSA86.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one 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

[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674483
4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one
CID 168655465
4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168686545
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658342
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168658114
4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
CID 168657039
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one (CID 168658472) is 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ccnn2-c2ccccc2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is AJZIDAPCQLZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-18-16-9-11-8-14(21)19(10-11)13-6-7-17-20(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2.
What are the key properties of 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 282.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168658472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).