1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole

C12H14ClN5 — CID 3167970

IUPAC1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESClc1ccc(-n2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C12H14ClN5/c13-10-3-5-11(6-4-10)18-12(14-15-16-18)9-17-7-1-2-8-17/h3-6H,1-2,7-9H2
InChIKeyXXVLFQVLMTUGNV-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.91
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole

1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole (PubChem CID 3167970) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole
PubChem CID3167970
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESClc1ccc(-n2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C12H14ClN5/c13-10-3-5-11(6-4-10)18-12(14-15-16-18)9-17-7-1-2-8-17/h3-6H,1-2,7-9H2
InChIKeyXXVLFQVLMTUGNV-UHFFFAOYSA-N
XLogP1.91
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole (CID 3167970) is 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole is Clc1ccc(-n2nnnc2CN2CCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole?
The InChIKey is XXVLFQVLMTUGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-3-5-11(6-4-10)18-12(14-15-16-18)9-17-7-1-2-8-17/h3-6H,1-2,7-9H2.
What are the key properties of 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole?
1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole has a molecular weight of 263.73 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)tetrazole is sourced from PubChem (CID 3167970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).