2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one

C10H10N6O — CID 121214288

IUPAC2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one
SMILES[N-]=[N+]=NCCn1[nH]c(-c2ccncc2)cc1=O
InChIInChI=1S/C10H10N6O/c11-15-13-5-6-16-10(17)7-9(14-16)8-1-3-12-4-2-8/h1-4,7,14H,5-6H2
InChIKeyTZAIQKCEFARFDZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one

2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one (PubChem CID 121214288) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one
PubChem CID121214288
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one
SMILES[N-]=[N+]=NCCn1[nH]c(-c2ccncc2)cc1=O
InChIInChI=1S/C10H10N6O/c11-15-13-5-6-16-10(17)7-9(14-16)8-1-3-12-4-2-8/h1-4,7,14H,5-6H2
InChIKeyTZAIQKCEFARFDZ-UHFFFAOYSA-N
XLogP1.55
TPSA99.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one (CID 121214288) is 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one is [N-]=[N+]=NCCn1[nH]c(-c2ccncc2)cc1=O.
What is the InChIKey of 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one?
The InChIKey is TZAIQKCEFARFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c11-15-13-5-6-16-10(17)7-9(14-16)8-1-3-12-4-2-8/h1-4,7,14H,5-6H2.
What are the key properties of 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one?
2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one has a molecular weight of 230.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-5-pyridin-4-yl-1H-pyrazol-3-one is sourced from PubChem (CID 121214288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).