2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole

C15H21N5 — CID 66575027

IUPAC2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole
SMILESCCn1nnc(CCc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C15H21N5/c1-2-20-17-15(16-18-20)10-7-13-5-8-14(9-6-13)19-11-3-4-12-19/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyZJABRUJQFWKBIB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.08
Rot. Bonds5

About 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole

2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole (PubChem CID 66575027) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole.

Molecular Properties

Compound Name2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole
PubChem CID66575027
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole
SMILESCCn1nnc(CCc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C15H21N5/c1-2-20-17-15(16-18-20)10-7-13-5-8-14(9-6-13)19-11-3-4-12-19/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyZJABRUJQFWKBIB-UHFFFAOYSA-N
XLogP2.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole?
The IUPAC name of 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole (CID 66575027) is 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole.
What is the SMILES notation for 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole?
The canonical SMILES for 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole is CCn1nnc(CCc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole?
The InChIKey is ZJABRUJQFWKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-20-17-15(16-18-20)10-7-13-5-8-14(9-6-13)19-11-3-4-12-19/h5-6,8-9H,2-4,7,10-12H2,1H3.
What are the key properties of 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole?
2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole has a molecular weight of 271.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(4-pyrrolidin-1-ylphenyl)ethyl]tetrazole is sourced from PubChem (CID 66575027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).