1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C15H18BrN3 — CID 65356541

IUPAC1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2-c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-2-17-14-7-4-8-15-13(14)10-18-19(15)12-6-3-5-11(16)9-12/h3,5-6,9-10,14,17H,2,4,7-8H2,1H3
InChIKeySHXBVTZMCMXNSV-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine

1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356541) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356541
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCNC1CCCc2c1cnn2-c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-2-17-14-7-4-8-15-13(14)10-18-19(15)12-6-3-5-11(16)9-12/h3,5-6,9-10,14,17H,2,4,7-8H2,1H3
InChIKeySHXBVTZMCMXNSV-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N-ethyl-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 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 65356541) is 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCNC1CCCc2c1cnn2-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SHXBVTZMCMXNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-17-14-7-4-8-15-13(14)10-18-19(15)12-6-3-5-11(16)9-12/h3,5-6,9-10,14,17H,2,4,7-8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).