2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole

C21H25N5 — CID 155516376

IUPAC2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
SMILESCc1cccc(C2CCCN2CCCn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H25N5/c1-17-8-5-11-19(16-17)20-12-6-13-25(20)14-7-15-26-23-21(22-24-26)18-9-3-2-4-10-18/h2-5,8-11,16,20H,6-7,12-15H2,1H3
InChIKeyIEYFRHLUDPEPCX-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.88
Rot. Bonds6

About 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole

2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole (PubChem CID 155516376) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
PubChem CID155516376
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole
SMILESCc1cccc(C2CCCN2CCCn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H25N5/c1-17-8-5-11-19(16-17)20-12-6-13-25(20)14-7-15-26-23-21(22-24-26)18-9-3-2-4-10-18/h2-5,8-11,16,20H,6-7,12-15H2,1H3
InChIKeyIEYFRHLUDPEPCX-UHFFFAOYSA-N
XLogP3.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
The IUPAC name of 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole (CID 155516376) is 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
The canonical SMILES for 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole is Cc1cccc(C2CCCN2CCCn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
The InChIKey is IEYFRHLUDPEPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-17-8-5-11-19(16-17)20-12-6-13-25(20)14-7-15-26-23-21(22-24-26)18-9-3-2-4-10-18/h2-5,8-11,16,20H,6-7,12-15H2,1H3.
What are the key properties of 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole?
2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole has a molecular weight of 347.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methylphenyl)pyrrolidin-1-yl]propyl]-5-phenyltetrazole is sourced from PubChem (CID 155516376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).