5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole

C13H14F3N5 — CID 86691883

IUPAC5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccc(-n2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)10-3-5-11(6-4-10)21-12(17-18-19-21)9-20-7-1-2-8-20/h3-6H,1-2,7-9H2
InChIKeyCGFLUQFCQSTWDD-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.28
Rot. Bonds3

About 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole

5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole (PubChem CID 86691883) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole
PubChem CID86691883
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccc(-n2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)10-3-5-11(6-4-10)21-12(17-18-19-21)9-20-7-1-2-8-20/h3-6H,1-2,7-9H2
InChIKeyCGFLUQFCQSTWDD-UHFFFAOYSA-N
XLogP2.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole (CID 86691883) is 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1ccc(-n2nnnc2CN2CCCC2)cc1.
What is the InChIKey of 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is CGFLUQFCQSTWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)10-3-5-11(6-4-10)21-12(17-18-19-21)9-20-7-1-2-8-20/h3-6H,1-2,7-9H2.
What are the key properties of 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole?
5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 297.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 86691883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).