1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone

C13H13FN4O — CID 166200587

IUPAC1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1cc(-c2nnn(CC(=O)C3CC3)n2)ccc1F
InChIInChI=1S/C13H13FN4O/c1-8-6-10(4-5-11(8)14)13-15-17-18(16-13)7-12(19)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyABEYCYZEEAGUCC-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.77
Rot. Bonds4

About 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone

1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 166200587) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID166200587
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1cc(-c2nnn(CC(=O)C3CC3)n2)ccc1F
InChIInChI=1S/C13H13FN4O/c1-8-6-10(4-5-11(8)14)13-15-17-18(16-13)7-12(19)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyABEYCYZEEAGUCC-UHFFFAOYSA-N
XLogP1.77
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone (CID 166200587) is 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone is Cc1cc(-c2nnn(CC(=O)C3CC3)n2)ccc1F.
What is the InChIKey of 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is ABEYCYZEEAGUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-6-10(4-5-11(8)14)13-15-17-18(16-13)7-12(19)9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone?
1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 260.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 166200587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).