1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole

C11H12ClN5 — CID 16764726

IUPAC1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole
SMILESClc1cccc(-n2cnnn2)c1N1CCCC1
InChIInChI=1S/C11H12ClN5/c12-9-4-3-5-10(17-8-13-14-15-17)11(9)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChIKeyOGIPGNSOYIFFIU-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.92
Rot. Bonds2

About 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole

1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole (PubChem CID 16764726) has the molecular formula C11H12ClN5 and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole
PubChem CID16764726
Molecular FormulaC11H12ClN5
Molecular Weight249.70 g/mol
Exact Mass249.08
IUPAC Name1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole
SMILESClc1cccc(-n2cnnn2)c1N1CCCC1
InChIInChI=1S/C11H12ClN5/c12-9-4-3-5-10(17-8-13-14-15-17)11(9)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChIKeyOGIPGNSOYIFFIU-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 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole?
The IUPAC name of 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole (CID 16764726) is 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole.
What is the SMILES notation for 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole?
The canonical SMILES for 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole is Clc1cccc(-n2cnnn2)c1N1CCCC1.
What is the InChIKey of 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole?
The InChIKey is OGIPGNSOYIFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c12-9-4-3-5-10(17-8-13-14-15-17)11(9)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole?
1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole 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 1-(3-chloro-2-pyrrolidin-1-ylphenyl)tetrazole is sourced from PubChem (CID 16764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).