5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole

C20H23N5 — CID 155536442

IUPAC5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole
SMILESc1ccc(-c2nnn(CCCN3CCCC3c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N5/c1-3-9-17(10-4-1)19-13-7-14-24(19)15-8-16-25-22-20(21-23-25)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKeySDWBIENYPTTXPL-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.57
Rot. Bonds6

About 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole

5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole (PubChem CID 155536442) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole.

Molecular Properties

Compound Name5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole
PubChem CID155536442
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole
SMILESc1ccc(-c2nnn(CCCN3CCCC3c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N5/c1-3-9-17(10-4-1)19-13-7-14-24(19)15-8-16-25-22-20(21-23-25)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKeySDWBIENYPTTXPL-UHFFFAOYSA-N
XLogP3.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole?
The IUPAC name of 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole (CID 155536442) is 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole.
What is the SMILES notation for 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole?
The canonical SMILES for 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole is c1ccc(-c2nnn(CCCN3CCCC3c3ccccc3)n2)cc1.
What is the InChIKey of 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole?
The InChIKey is SDWBIENYPTTXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-9-17(10-4-1)19-13-7-14-24(19)15-8-16-25-22-20(21-23-25)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2.
What are the key properties of 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole?
5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole has a molecular weight of 333.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole is sourced from PubChem (CID 155536442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).