3-bromo-1-methyl-4,5,6,7-tetrahydroindazole

C8H11BrN2 — CID 84680769

IUPAC3-bromo-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1nc(Br)c2c1CCCC2
InChIInChI=1S/C8H11BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H2,1H3
InChIKeyFJPKJRBGSOYJEV-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.06
Rot. Bonds

About 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole

3-bromo-1-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 84680769) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-bromo-1-methyl-4,5,6,7-tetrahydroindazole
PubChem CID84680769
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name3-bromo-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1nc(Br)c2c1CCCC2
InChIInChI=1S/C8H11BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H2,1H3
InChIKeyFJPKJRBGSOYJEV-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 57425037
CID 57425037
CID 145769935
CID 145769935
CID 12031296
CID 12031296
CID 84669818
CID 84669818
CID 126838928
CID 126838928
CID 165994000
CID 165994000
CID 12031300
CID 12031300
CID 12031302
CID 12031302
CID 71204306
CID 71204306
CID 90167566
CID 90167566
CID 90167578
CID 90167578
CID 90167665
CID 90167665

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole (CID 84680769) is 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole is Cn1nc(Br)c2c1CCCC2.
What is the InChIKey of 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is FJPKJRBGSOYJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H2,1H3.
What are the key properties of 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole?
3-bromo-1-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 215.09 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 84680769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).