3-(4-aminopyrazol-1-yl)azepan-2-one

C9H14N4O — CID 43185834

IUPAC3-(4-aminopyrazol-1-yl)azepan-2-one
SMILESNc1cnn(C2CCCCNC2=O)c1
InChIInChI=1S/C9H14N4O/c10-7-5-12-13(6-7)8-3-1-2-4-11-9(8)14/h5-6,8H,1-4,10H2,(H,11,14)
InChIKeyQVEYBMLTSXSPLS-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.31
Rot. Bonds1

About 3-(4-aminopyrazol-1-yl)azepan-2-one

3-(4-aminopyrazol-1-yl)azepan-2-one (PubChem CID 43185834) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(4-aminopyrazol-1-yl)azepan-2-one.

Molecular Properties

Compound Name3-(4-aminopyrazol-1-yl)azepan-2-one
PubChem CID43185834
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(4-aminopyrazol-1-yl)azepan-2-one
SMILESNc1cnn(C2CCCCNC2=O)c1
InChIInChI=1S/C9H14N4O/c10-7-5-12-13(6-7)8-3-1-2-4-11-9(8)14/h5-6,8H,1-4,10H2,(H,11,14)
InChIKeyQVEYBMLTSXSPLS-UHFFFAOYSA-N
XLogP0.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-aminopyrazol-1-yl)azepan-2-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 3-(4-aminopyrazol-1-yl)azepan-2-one?
The IUPAC name of 3-(4-aminopyrazol-1-yl)azepan-2-one (CID 43185834) is 3-(4-aminopyrazol-1-yl)azepan-2-one.
What is the SMILES notation for 3-(4-aminopyrazol-1-yl)azepan-2-one?
The canonical SMILES for 3-(4-aminopyrazol-1-yl)azepan-2-one is Nc1cnn(C2CCCCNC2=O)c1.
What is the InChIKey of 3-(4-aminopyrazol-1-yl)azepan-2-one?
The InChIKey is QVEYBMLTSXSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7-5-12-13(6-7)8-3-1-2-4-11-9(8)14/h5-6,8H,1-4,10H2,(H,11,14).
What are the key properties of 3-(4-aminopyrazol-1-yl)azepan-2-one?
3-(4-aminopyrazol-1-yl)azepan-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazol-1-yl)azepan-2-one is sourced from PubChem (CID 43185834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).