4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one

C15H16N6O — CID 168656711

IUPAC4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(N3CC(CN=[N+]=[N-])CC3=O)n[nH]2)cc1
InChIInChI=1S/C15H16N6O/c1-10-2-4-12(5-3-10)13-7-14(19-18-13)21-9-11(6-15(21)22)8-17-20-16/h2-5,7,11H,6,8-9H2,1H3,(H,18,19)
InChIKeyRUGDQHSZYCDTIK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.05
Rot. Bonds4

About 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one

4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 168656711) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
PubChem CID168656711
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc(N3CC(CN=[N+]=[N-])CC3=O)n[nH]2)cc1
InChIInChI=1S/C15H16N6O/c1-10-2-4-12(5-3-10)13-7-14(19-18-13)21-9-11(6-15(21)22)8-17-20-16/h2-5,7,11H,6,8-9H2,1H3,(H,18,19)
InChIKeyRUGDQHSZYCDTIK-UHFFFAOYSA-N
XLogP3.05
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[5-(4-methylphenyl)-1H-pyrazol-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

4-(hydroxymethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168662640
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-chloro-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168688095
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656987
4-(chloromethyl)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168509279
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
CID 168657805
4-(azidomethyl)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168656638
4-(azidomethyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
CID 168657810

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one (CID 168656711) is 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one is Cc1ccc(-c2cc(N3CC(CN=[N+]=[N-])CC3=O)n[nH]2)cc1.
What is the InChIKey of 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is RUGDQHSZYCDTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-2-4-12(5-3-10)13-7-14(19-18-13)21-9-11(6-15(21)22)8-17-20-16/h2-5,7,11H,6,8-9H2,1H3,(H,18,19).
What are the key properties of 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one?
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 296.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168656711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).