(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one

C9H12N6O — CID 129494652

IUPAC(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CC(N=[N+]=[N-])C1)n1cccn1
InChIInChI=1S/C9H12N6O/c1-7(15-4-2-3-11-15)9(16)14-5-8(6-14)12-13-10/h2-4,7-8H,5-6H2,1H3/t7-/m1/s1
InChIKeyYNJPMOJTTUSHQL-SSDOTTSWSA-N
MW220.24 g/mol
LogP0.97
Rot. Bonds3

About (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one

(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one (PubChem CID 129494652) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one
PubChem CID129494652
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CC(N=[N+]=[N-])C1)n1cccn1
InChIInChI=1S/C9H12N6O/c1-7(15-4-2-3-11-15)9(16)14-5-8(6-14)12-13-10/h2-4,7-8H,5-6H2,1H3/t7-/m1/s1
InChIKeyYNJPMOJTTUSHQL-SSDOTTSWSA-N
XLogP0.97
TPSA86.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.97
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'}

Analyze (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-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 (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one (CID 129494652) is (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one is C[C@H](C(=O)N1CC(N=[N+]=[N-])C1)n1cccn1.
What is the InChIKey of (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one?
The InChIKey is YNJPMOJTTUSHQL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N6O/c1-7(15-4-2-3-11-15)9(16)14-5-8(6-14)12-13-10/h2-4,7-8H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one?
(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one has a molecular weight of 220.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 129494652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).