5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole

C13H14BrFN2 — CID 137497379

IUPAC5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole
SMILESCc1nn(C2CCCC2)c2ccc(Br)c(F)c12
InChIInChI=1S/C13H14BrFN2/c1-8-12-11(7-6-10(14)13(12)15)17(16-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyBZCIKLDDTGVRFS-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.36
Rot. Bonds1

About 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole

5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole (PubChem CID 137497379) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole.

Molecular Properties

Compound Name5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole
PubChem CID137497379
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole
SMILESCc1nn(C2CCCC2)c2ccc(Br)c(F)c12
InChIInChI=1S/C13H14BrFN2/c1-8-12-11(7-6-10(14)13(12)15)17(16-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyBZCIKLDDTGVRFS-UHFFFAOYSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole?
The IUPAC name of 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole (CID 137497379) is 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole.
What is the SMILES notation for 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole?
The canonical SMILES for 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole is Cc1nn(C2CCCC2)c2ccc(Br)c(F)c12.
What is the InChIKey of 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole?
The InChIKey is BZCIKLDDTGVRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2/c1-8-12-11(7-6-10(14)13(12)15)17(16-8)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole?
5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole has a molecular weight of 297.17 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopentyl-4-fluoro-3-methylindazole is sourced from PubChem (CID 137497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).