5-bromo-7-tert-butyl-3-methyl-2H-indazole

C12H15BrN2 — CID 70869081

IUPAC5-bromo-7-tert-butyl-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(C(C)(C)C)cc(Br)cc12
InChIInChI=1S/C12H15BrN2/c1-7-9-5-8(13)6-10(12(2,3)4)11(9)15-14-7/h5-6H,1-4H3,(H,14,15)
InChIKeyYEMBFXZDARAALN-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.93
Rot. Bonds

About 5-bromo-7-tert-butyl-3-methyl-2H-indazole

5-bromo-7-tert-butyl-3-methyl-2H-indazole (PubChem CID 70869081) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 5-bromo-7-tert-butyl-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-bromo-7-tert-butyl-3-methyl-2H-indazole
PubChem CID70869081
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name5-bromo-7-tert-butyl-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(C(C)(C)C)cc(Br)cc12
InChIInChI=1S/C12H15BrN2/c1-7-9-5-8(13)6-10(12(2,3)4)11(9)15-14-7/h5-6H,1-4H3,(H,14,15)
InChIKeyYEMBFXZDARAALN-UHFFFAOYSA-N
XLogP3.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-7-tert-butyl-3-methyl-2H-indazole 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-7-tert-butyl-3-methyl-2H-indazole?
The IUPAC name of 5-bromo-7-tert-butyl-3-methyl-2H-indazole (CID 70869081) is 5-bromo-7-tert-butyl-3-methyl-2H-indazole.
What is the SMILES notation for 5-bromo-7-tert-butyl-3-methyl-2H-indazole?
The canonical SMILES for 5-bromo-7-tert-butyl-3-methyl-2H-indazole is Cc1[nH]nc2c(C(C)(C)C)cc(Br)cc12.
What is the InChIKey of 5-bromo-7-tert-butyl-3-methyl-2H-indazole?
The InChIKey is YEMBFXZDARAALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-7-9-5-8(13)6-10(12(2,3)4)11(9)15-14-7/h5-6H,1-4H3,(H,14,15).
What are the key properties of 5-bromo-7-tert-butyl-3-methyl-2H-indazole?
5-bromo-7-tert-butyl-3-methyl-2H-indazole has a molecular weight of 267.17 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-tert-butyl-3-methyl-2H-indazole is sourced from PubChem (CID 70869081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).