2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

C9H15N3 — CID 165006836

IUPAC2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
SMILESCC1CNCCc2cn(C)nc21
InChIInChI=1S/C9H15N3/c1-7-5-10-4-3-8-6-12(2)11-9(7)8/h6-7,10H,3-5H2,1-2H3
InChIKeyOJPIACDLDIOXNV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.67
Rot. Bonds

About 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine (PubChem CID 165006836) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine.

Molecular Properties

Compound Name2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
PubChem CID165006836
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
SMILESCC1CNCCc2cn(C)nc21
InChIInChI=1S/C9H15N3/c1-7-5-10-4-3-8-6-12(2)11-9(7)8/h6-7,10H,3-5H2,1-2H3
InChIKeyOJPIACDLDIOXNV-UHFFFAOYSA-N
XLogP0.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]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 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
The IUPAC name of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine (CID 165006836) is 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine.
What is the SMILES notation for 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
The canonical SMILES for 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine is CC1CNCCc2cn(C)nc21.
What is the InChIKey of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
The InChIKey is OJPIACDLDIOXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-5-10-4-3-8-6-12(2)11-9(7)8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine?
2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine has a molecular weight of 165.24 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine is sourced from PubChem (CID 165006836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).