(E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine

C18H17N3 — CID 144782229

IUPAC(E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(\C)c1ccc(-c2cccc3[nH]ncc23)cc1
InChIInChI=1S/C18H17N3/c1-13(10-11-19-2)14-6-8-15(9-7-14)16-4-3-5-18-17(16)12-20-21-18/h3-12H,1-2H3,(H,20,21)/b13-10+,19-11+
InChIKeyXHJKHOUAHMGDMC-MINACNRQSA-N
MW275.36 g/mol
LogP4.33
Rot. Bonds3

About (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine

(E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine (PubChem CID 144782229) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine
PubChem CID144782229
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name(E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(\C)c1ccc(-c2cccc3[nH]ncc23)cc1
InChIInChI=1S/C18H17N3/c1-13(10-11-19-2)14-6-8-15(9-7-14)16-4-3-5-18-17(16)12-20-21-18/h3-12H,1-2H3,(H,20,21)/b13-10+,19-11+
InChIKeyXHJKHOUAHMGDMC-MINACNRQSA-N
XLogP4.33
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine 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

N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
3-(1H-indazol-4-yl)phenol
CID 83445848
4-[4-(1,3-dioxan-2-yl)phenyl]-1H-indazole
CID 166365216
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 167756321
CID 174665708
CID 174665708
2-(1H-indazol-4-yl)quinazoline
CID 91393961
1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
CID 166365330
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
2-[2-(1H-indazol-4-yl)phenyl]-N,N-dimethylethanamine
CID 175730267
5-(1H-indazol-4-yl)-6-methylpyrimidin-4-amine
CID 166387903
1H-indazol-4-ylboronic acid;hydrochloride
CID 46738007
3-(1H-indazol-4-yl)-2,1-benzothiazole
CID 166359807

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine?
The IUPAC name of (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine (CID 144782229) is (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine?
The canonical SMILES for (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine is C/N=C/C=C(\C)c1ccc(-c2cccc3[nH]ncc23)cc1.
What is the InChIKey of (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine?
The InChIKey is XHJKHOUAHMGDMC-MINACNRQSA-N. The full InChI is InChI=1S/C18H17N3/c1-13(10-11-19-2)14-6-8-15(9-7-14)16-4-3-5-18-17(16)12-20-21-18/h3-12H,1-2H3,(H,20,21)/b13-10+,19-11+.
What are the key properties of (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine?
(E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine has a molecular weight of 275.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1H-indazol-4-yl)phenyl]-N-methylbut-2-en-1-imine is sourced from PubChem (CID 144782229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).