2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane

C11H19N3 — CID 71695369

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
SMILESCc1n[nH]c(C)c1C1CCCCCN1
InChIInChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQWQQOCFYULMGMI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.23
Rot. Bonds1

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane

2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane (PubChem CID 71695369) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
PubChem CID71695369
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane
SMILESCc1n[nH]c(C)c1C1CCCCCN1
InChIInChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyQWQQOCFYULMGMI-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane 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-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane (CID 71695369) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane is Cc1n[nH]c(C)c1C1CCCCCN1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
The InChIKey is QWQQOCFYULMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-11(9(2)14-13-8)10-6-4-3-5-7-12-10/h10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane?
2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane has a molecular weight of 193.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane is sourced from PubChem (CID 71695369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).