4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one

C13H20N6O — CID 168655465

IUPAC4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one
SMILESCC(C)C(C)n1nccc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C13H20N6O/c1-9(2)10(3)19-12(4-5-16-19)18-8-11(6-13(18)20)7-15-17-14/h4-5,9-11H,6-8H2,1-3H3
InChIKeyDJWIXKJTLKUDQX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.76
Rot. Bonds5

About 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 168655465) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one
PubChem CID168655465
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one
SMILESCC(C)C(C)n1nccc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C13H20N6O/c1-9(2)10(3)19-12(4-5-16-19)18-8-11(6-13(18)20)7-15-17-14/h4-5,9-11H,6-8H2,1-3H3
InChIKeyDJWIXKJTLKUDQX-UHFFFAOYSA-N
XLogP2.76
TPSA86.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.76
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'}

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Related Compounds

[1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672465
4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168658472
1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690152
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
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-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
CID 168657039
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658342

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one (CID 168655465) is 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one is CC(C)C(C)n1nccc1N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is DJWIXKJTLKUDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)10(3)19-12(4-5-16-19)18-8-11(6-13(18)20)7-15-17-14/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168655465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).