4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one

C14H15N7O — CID 168657039

IUPAC4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
SMILESCn1nc(-c2cccnc2)cc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C14H15N7O/c1-20-13(6-12(18-20)11-3-2-4-16-8-11)21-9-10(5-14(21)22)7-17-19-15/h2-4,6,8,10H,5,7,9H2,1H3
InChIKeyDPQSREQKWLNDPW-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.15
Rot. Bonds4

About 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one (PubChem CID 168657039) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
PubChem CID168657039
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
SMILESCn1nc(-c2cccnc2)cc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C14H15N7O/c1-20-13(6-12(18-20)11-3-2-4-16-8-11)21-9-10(5-14(21)22)7-17-19-15/h2-4,6,8,10H,5,7,9H2,1H3
InChIKeyDPQSREQKWLNDPW-UHFFFAOYSA-N
XLogP2.15
TPSA99.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714693
S-[1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705858
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168658472
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
4-(azidomethyl)-1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]pyrrolidin-2-one
CID 168655465
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one (CID 168657039) is 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one is Cn1nc(-c2cccnc2)cc1N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one?
The InChIKey is DPQSREQKWLNDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-20-13(6-12(18-20)11-3-2-4-16-8-11)21-9-10(5-14(21)22)7-17-19-15/h2-4,6,8,10H,5,7,9H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one has a molecular weight of 297.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168657039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).