5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

C13H21N3O — CID 118489291

IUPAC5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCC(C)c1n[nH]c2c1CN(C1COC1)CCC2
InChIInChI=1S/C13H21N3O/c1-9(2)13-11-6-16(10-7-17-8-10)5-3-4-12(11)14-15-13/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyJCXIRSWIPGXLHB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.68
Rot. Bonds2

About 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (PubChem CID 118489291) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.

Molecular Properties

Compound Name5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
PubChem CID118489291
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine
SMILESCC(C)c1n[nH]c2c1CN(C1COC1)CCC2
InChIInChI=1S/C13H21N3O/c1-9(2)13-11-6-16(10-7-17-8-10)5-3-4-12(11)14-15-13/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyJCXIRSWIPGXLHB-UHFFFAOYSA-N
XLogP1.68
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine 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 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The IUPAC name of 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine (CID 118489291) is 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine.
What is the SMILES notation for 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The canonical SMILES for 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is CC(C)c1n[nH]c2c1CN(C1COC1)CCC2.
What is the InChIKey of 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
The InChIKey is JCXIRSWIPGXLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)13-11-6-16(10-7-17-8-10)5-3-4-12(11)14-15-13/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine?
5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine has a molecular weight of 235.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine is sourced from PubChem (CID 118489291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).