N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C16H20BrN3 — CID 43680101

IUPACN-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)c1ccccc1Br
InChIInChI=1S/C16H20BrN3/c1-11(12-6-3-4-7-14(12)17)19-15-8-5-9-16-13(15)10-18-20(16)2/h3-4,6-7,10-11,15,19H,5,8-9H2,1-2H3
InChIKeyVKDYOLVYDIVMBP-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.91
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43680101) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43680101
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)c1ccccc1Br
InChIInChI=1S/C16H20BrN3/c1-11(12-6-3-4-7-14(12)17)19-15-8-5-9-16-13(15)10-18-20(16)2/h3-4,6-7,10-11,15,19H,5,8-9H2,1-2H3
InChIKeyVKDYOLVYDIVMBP-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bromophenyl)ethyl]-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 N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43680101) is N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CC(NC1CCCc2c1cnn2C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is VKDYOLVYDIVMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11(12-6-3-4-7-14(12)17)19-15-8-5-9-16-13(15)10-18-20(16)2/h3-4,6-7,10-11,15,19H,5,8-9H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 334.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43680101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).