1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine

C8H13N3 — CID 83679454

IUPAC1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine
SMILESCn1ncc2c1CCCNC2
InChIInChI=1S/C8H13N3/c1-11-8-3-2-4-9-5-7(8)6-10-11/h6,9H,2-5H2,1H3
InChIKeyKWEVSQUHBXYCKQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.46
Rot. Bonds

About 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine

1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine (PubChem CID 83679454) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine
PubChem CID83679454
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine
SMILESCn1ncc2c1CCCNC2
InChIInChI=1S/C8H13N3/c1-11-8-3-2-4-9-5-7(8)6-10-11/h6,9H,2-5H2,1H3
InChIKeyKWEVSQUHBXYCKQ-UHFFFAOYSA-N
XLogP0.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-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 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine (CID 83679454) is 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine is Cn1ncc2c1CCCNC2.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
The InChIKey is KWEVSQUHBXYCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-8-3-2-4-9-5-7(8)6-10-11/h6,9H,2-5H2,1H3.
What are the key properties of 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine?
1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine has a molecular weight of 151.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-c]azepine is sourced from PubChem (CID 83679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).