5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole

C15H20N4 — CID 148696118

IUPAC5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole
SMILESCc1ccc(C(Cc2nn[nH]n2)C2CCCC2)cc1
InChIInChI=1S/C15H20N4/c1-11-6-8-13(9-7-11)14(12-4-2-3-5-12)10-15-16-18-19-17-15/h6-9,12,14H,2-5,10H2,1H3,(H,16,17,18,19)
InChIKeyNULGNCSRXUXOGN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.02
Rot. Bonds4

About 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole

5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole (PubChem CID 148696118) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole
PubChem CID148696118
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole
SMILESCc1ccc(C(Cc2nn[nH]n2)C2CCCC2)cc1
InChIInChI=1S/C15H20N4/c1-11-6-8-13(9-7-11)14(12-4-2-3-5-12)10-15-16-18-19-17-15/h6-9,12,14H,2-5,10H2,1H3,(H,16,17,18,19)
InChIKeyNULGNCSRXUXOGN-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole 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 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole (CID 148696118) is 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole is Cc1ccc(C(Cc2nn[nH]n2)C2CCCC2)cc1.
What is the InChIKey of 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole?
The InChIKey is NULGNCSRXUXOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-6-8-13(9-7-11)14(12-4-2-3-5-12)10-15-16-18-19-17-15/h6-9,12,14H,2-5,10H2,1H3,(H,16,17,18,19).
What are the key properties of 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole?
5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole has a molecular weight of 256.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole is sourced from PubChem (CID 148696118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).