5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole

C13H13FN6 — CID 47461090

IUPAC5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole
SMILESCc1cc(-c2nnn(CCn3cccn3)n2)ccc1F
InChIInChI=1S/C13H13FN6/c1-10-9-11(3-4-12(10)14)13-16-18-20(17-13)8-7-19-6-2-5-15-19/h2-6,9H,7-8H2,1H3
InChIKeyNSXPSSVXHBKYGZ-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.68
Rot. Bonds4

About 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole

5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole (PubChem CID 47461090) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole
PubChem CID47461090
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole
SMILESCc1cc(-c2nnn(CCn3cccn3)n2)ccc1F
InChIInChI=1S/C13H13FN6/c1-10-9-11(3-4-12(10)14)13-16-18-20(17-13)8-7-19-6-2-5-15-19/h2-6,9H,7-8H2,1H3
InChIKeyNSXPSSVXHBKYGZ-UHFFFAOYSA-N
XLogP1.68
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole (CID 47461090) is 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole is Cc1cc(-c2nnn(CCn3cccn3)n2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole?
The InChIKey is NSXPSSVXHBKYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6/c1-10-9-11(3-4-12(10)14)13-16-18-20(17-13)8-7-19-6-2-5-15-19/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole?
5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole has a molecular weight of 272.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2-(2-pyrazol-1-ylethyl)tetrazole is sourced from PubChem (CID 47461090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).