5-bromo-3-cyclopropyl-1-methylindazole

C11H11BrN2 — CID 54759034

IUPAC5-bromo-3-cyclopropyl-1-methylindazole
SMILESCn1nc(C2CC2)c2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2/c1-14-10-5-4-8(12)6-9(10)11(13-14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyKJFYYJFGROXETI-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.21
Rot. Bonds1

About 5-bromo-3-cyclopropyl-1-methylindazole

5-bromo-3-cyclopropyl-1-methylindazole (PubChem CID 54759034) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-1-methylindazole.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-1-methylindazole
PubChem CID54759034
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name5-bromo-3-cyclopropyl-1-methylindazole
SMILESCn1nc(C2CC2)c2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2/c1-14-10-5-4-8(12)6-9(10)11(13-14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyKJFYYJFGROXETI-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-cyclopropyl-1-methylindazole 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 5-bromo-3-cyclopropyl-1-methylindazole?
The IUPAC name of 5-bromo-3-cyclopropyl-1-methylindazole (CID 54759034) is 5-bromo-3-cyclopropyl-1-methylindazole.
What is the SMILES notation for 5-bromo-3-cyclopropyl-1-methylindazole?
The canonical SMILES for 5-bromo-3-cyclopropyl-1-methylindazole is Cn1nc(C2CC2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-cyclopropyl-1-methylindazole?
The InChIKey is KJFYYJFGROXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-14-10-5-4-8(12)6-9(10)11(13-14)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of 5-bromo-3-cyclopropyl-1-methylindazole?
5-bromo-3-cyclopropyl-1-methylindazole has a molecular weight of 251.13 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-1-methylindazole is sourced from PubChem (CID 54759034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).