2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole

C11H12ClN5 — CID 56924902

IUPAC2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole
SMILESClc1ccc(-n2nnc(N3CCCC3)n2)cc1
InChIInChI=1S/C11H12ClN5/c12-9-3-5-10(6-4-9)17-14-11(13-15-17)16-7-1-2-8-16/h3-6H,1-2,7-8H2
InChIKeyCJSCDBCTWSWHTJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole

2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole (PubChem CID 56924902) has the molecular formula C11H12ClN5 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole
PubChem CID56924902
Molecular FormulaC11H12ClN5
Molecular Weight249.70 g/mol
Exact Mass249.08
IUPAC Name2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole
SMILESClc1ccc(-n2nnc(N3CCCC3)n2)cc1
InChIInChI=1S/C11H12ClN5/c12-9-3-5-10(6-4-9)17-14-11(13-15-17)16-7-1-2-8-16/h3-6H,1-2,7-8H2
InChIKeyCJSCDBCTWSWHTJ-UHFFFAOYSA-N
XLogP1.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole?
The IUPAC name of 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole (CID 56924902) is 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole is Clc1ccc(-n2nnc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole?
The InChIKey is CJSCDBCTWSWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c12-9-3-5-10(6-4-9)17-14-11(13-15-17)16-7-1-2-8-16/h3-6H,1-2,7-8H2.
What are the key properties of 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole?
2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole has a molecular weight of 249.70 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-pyrrolidin-1-yltetrazole is sourced from PubChem (CID 56924902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).