3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C11H16BrN3 — CID 83913628

IUPAC3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1nc(Br)c2c1CCCC2NC1CC1
InChIInChI=1S/C11H16BrN3/c1-15-9-4-2-3-8(13-7-5-6-7)10(9)11(12)14-15/h7-8,13H,2-6H2,1H3
InChIKeyZBNDWOGSDBRVPA-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.31
Rot. Bonds2

About 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 83913628) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID83913628
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1nc(Br)c2c1CCCC2NC1CC1
InChIInChI=1S/C11H16BrN3/c1-15-9-4-2-3-8(13-7-5-6-7)10(9)11(12)14-15/h7-8,13H,2-6H2,1H3
InChIKeyZBNDWOGSDBRVPA-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine 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 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 83913628) is 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1nc(Br)c2c1CCCC2NC1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is ZBNDWOGSDBRVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-15-9-4-2-3-8(13-7-5-6-7)10(9)11(12)14-15/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 270.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 83913628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).