N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine

C15H11Cl2N3 — CID 90281688

IUPACN-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine
SMILESC/C(=N\c1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H11Cl2N3/c1-9(19-12-3-4-13(16)14(17)7-12)10-2-5-15-11(6-10)8-18-20-15/h2-8H,1H3,(H,18,20)/b19-9+
InChIKeyFRZDFASIHPPRME-DJKKODMXSA-N
MW304.18 g/mol
LogP5.01
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine

N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine (PubChem CID 90281688) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine
PubChem CID90281688
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC NameN-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine
SMILESC/C(=N\c1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H11Cl2N3/c1-9(19-12-3-4-13(16)14(17)7-12)10-2-5-15-11(6-10)8-18-20-15/h2-8H,1H3,(H,18,20)/b19-9+
InChIKeyFRZDFASIHPPRME-DJKKODMXSA-N
XLogP5.01
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine 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-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine (CID 90281688) is N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine is C/C(=N\c1ccc(Cl)c(Cl)c1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine?
The InChIKey is FRZDFASIHPPRME-DJKKODMXSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c1-9(19-12-3-4-13(16)14(17)7-12)10-2-5-15-11(6-10)8-18-20-15/h2-8H,1H3,(H,18,20)/b19-9+.
What are the key properties of N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine?
N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine has a molecular weight of 304.18 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)ethanimine is sourced from PubChem (CID 90281688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).