4-bromo-1-propan-2-ylindazole

C10H11BrN2 — CID 84727907

IUPAC4-bromo-1-propan-2-ylindazole
SMILESCC(C)n1ncc2c(Br)cccc21
InChIInChI=1S/C10H11BrN2/c1-7(2)13-10-5-3-4-9(11)8(10)6-12-13/h3-7H,1-2H3
InChIKeyXEFFMLNPNZCKIV-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.38
Rot. Bonds1

About 4-bromo-1-propan-2-ylindazole

4-bromo-1-propan-2-ylindazole (PubChem CID 84727907) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylindazole.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylindazole
PubChem CID84727907
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name4-bromo-1-propan-2-ylindazole
SMILESCC(C)n1ncc2c(Br)cccc21
InChIInChI=1S/C10H11BrN2/c1-7(2)13-10-5-3-4-9(11)8(10)6-12-13/h3-7H,1-2H3
InChIKeyXEFFMLNPNZCKIV-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-propan-2-ylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylindazole?
The IUPAC name of 4-bromo-1-propan-2-ylindazole (CID 84727907) is 4-bromo-1-propan-2-ylindazole.
What is the SMILES notation for 4-bromo-1-propan-2-ylindazole?
The canonical SMILES for 4-bromo-1-propan-2-ylindazole is CC(C)n1ncc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-propan-2-ylindazole?
The InChIKey is XEFFMLNPNZCKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-7(2)13-10-5-3-4-9(11)8(10)6-12-13/h3-7H,1-2H3.
What are the key properties of 4-bromo-1-propan-2-ylindazole?
4-bromo-1-propan-2-ylindazole has a molecular weight of 239.12 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylindazole is sourced from PubChem (CID 84727907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).