4-(1-propylpyrazol-4-yl)azepane

C12H21N3 — CID 83261378

IUPAC4-(1-propylpyrazol-4-yl)azepane
SMILESCCCn1cc(C2CCCNCC2)cn1
InChIInChI=1S/C12H21N3/c1-2-8-15-10-12(9-14-15)11-4-3-6-13-7-5-11/h9-11,13H,2-8H2,1H3
InChIKeyZFHUKFTWMNRRNZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds3

About 4-(1-propylpyrazol-4-yl)azepane

4-(1-propylpyrazol-4-yl)azepane (PubChem CID 83261378) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(1-propylpyrazol-4-yl)azepane.

Molecular Properties

Compound Name4-(1-propylpyrazol-4-yl)azepane
PubChem CID83261378
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(1-propylpyrazol-4-yl)azepane
SMILESCCCn1cc(C2CCCNCC2)cn1
InChIInChI=1S/C12H21N3/c1-2-8-15-10-12(9-14-15)11-4-3-6-13-7-5-11/h9-11,13H,2-8H2,1H3
InChIKeyZFHUKFTWMNRRNZ-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-propylpyrazol-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 4-(1-propylpyrazol-4-yl)azepane?
The IUPAC name of 4-(1-propylpyrazol-4-yl)azepane (CID 83261378) is 4-(1-propylpyrazol-4-yl)azepane.
What is the SMILES notation for 4-(1-propylpyrazol-4-yl)azepane?
The canonical SMILES for 4-(1-propylpyrazol-4-yl)azepane is CCCn1cc(C2CCCNCC2)cn1.
What is the InChIKey of 4-(1-propylpyrazol-4-yl)azepane?
The InChIKey is ZFHUKFTWMNRRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-8-15-10-12(9-14-15)11-4-3-6-13-7-5-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-(1-propylpyrazol-4-yl)azepane?
4-(1-propylpyrazol-4-yl)azepane has a molecular weight of 207.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrazol-4-yl)azepane is sourced from PubChem (CID 83261378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).