4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one

C10H14N6O — CID 168657247

IUPAC4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2cn[nH]c2)C1
InChIInChI=1S/C10H14N6O/c11-15-14-6-9-3-10(17)16(7-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)
InChIKeyUDECEBXUNQVJCI-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.11
Rot. Bonds5

About 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 168657247) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
PubChem CID168657247
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CCc2cn[nH]c2)C1
InChIInChI=1S/C10H14N6O/c11-15-14-6-9-3-10(17)16(7-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13)
InChIKeyUDECEBXUNQVJCI-UHFFFAOYSA-N
XLogP1.11
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one (CID 168657247) is 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CCc2cn[nH]c2)C1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is UDECEBXUNQVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-15-14-6-9-3-10(17)16(7-9)2-1-8-4-12-13-5-8/h4-5,9H,1-3,6-7H2,(H,12,13).
What are the key properties of 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 234.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168657247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).