2-methyl-2-(2-phenylpyrazol-3-yl)azepane

C16H21N3 — CID 107330736

IUPAC2-methyl-2-(2-phenylpyrazol-3-yl)azepane
SMILESCC1(c2ccnn2-c2ccccc2)CCCCCN1
InChIInChI=1S/C16H21N3/c1-16(11-6-3-7-12-17-16)15-10-13-18-19(15)14-8-4-2-5-9-14/h2,4-5,8-10,13,17H,3,6-7,11-12H2,1H3
InChIKeyZYLRKZKCJAOLRZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.25
Rot. Bonds2

About 2-methyl-2-(2-phenylpyrazol-3-yl)azepane

2-methyl-2-(2-phenylpyrazol-3-yl)azepane (PubChem CID 107330736) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylpyrazol-3-yl)azepane.

Molecular Properties

Compound Name2-methyl-2-(2-phenylpyrazol-3-yl)azepane
PubChem CID107330736
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-methyl-2-(2-phenylpyrazol-3-yl)azepane
SMILESCC1(c2ccnn2-c2ccccc2)CCCCCN1
InChIInChI=1S/C16H21N3/c1-16(11-6-3-7-12-17-16)15-10-13-18-19(15)14-8-4-2-5-9-14/h2,4-5,8-10,13,17H,3,6-7,11-12H2,1H3
InChIKeyZYLRKZKCJAOLRZ-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2-phenylpyrazol-3-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

Related Compounds

1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 107330715
2-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylazepane
CID 114278021
1-(2-phenylpyrazol-3-yl)cyclobutan-1-ol
CID 107329942
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
2-(2-methylpiperidin-2-yl)pyridine
CID 83529728
1-methyl-4-(2-phenylpyrazol-3-yl)piperidin-4-ol
CID 107329806
4-(methylamino)-1-(2-phenylpyrazol-3-yl)cyclohexan-1-ol
CID 107331436
2-methyl-3-(2-phenylpyrazol-3-yl)oxolan-3-ol
CID 107329996
2-methyl-2-thiophen-2-ylpiperidine
CID 83530082
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
2-cyclopropyl-2-(3-phenyltriazol-4-yl)azepane
CID 114688475
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylpyrazol-3-yl)azepane?
The IUPAC name of 2-methyl-2-(2-phenylpyrazol-3-yl)azepane (CID 107330736) is 2-methyl-2-(2-phenylpyrazol-3-yl)azepane.
What is the SMILES notation for 2-methyl-2-(2-phenylpyrazol-3-yl)azepane?
The canonical SMILES for 2-methyl-2-(2-phenylpyrazol-3-yl)azepane is CC1(c2ccnn2-c2ccccc2)CCCCCN1.
What is the InChIKey of 2-methyl-2-(2-phenylpyrazol-3-yl)azepane?
The InChIKey is ZYLRKZKCJAOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(11-6-3-7-12-17-16)15-10-13-18-19(15)14-8-4-2-5-9-14/h2,4-5,8-10,13,17H,3,6-7,11-12H2,1H3.
What are the key properties of 2-methyl-2-(2-phenylpyrazol-3-yl)azepane?
2-methyl-2-(2-phenylpyrazol-3-yl)azepane has a molecular weight of 255.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylpyrazol-3-yl)azepane is sourced from PubChem (CID 107330736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).