4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole

C14H16N2 — CID 167200953

IUPAC4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole
SMILESCCC/C=C\C=C\c1cccc2[nH]ncc12
InChIInChI=1S/C14H16N2/c1-2-3-4-5-6-8-12-9-7-10-14-13(12)11-15-16-14/h4-11H,2-3H2,1H3,(H,15,16)/b5-4-,8-6+
InChIKeyKLFCAMPZTWWMTK-GSGSLZOQSA-N
MW212.30 g/mol
LogP3.93
Rot. Bonds4

About 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole

4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole (PubChem CID 167200953) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole.

Molecular Properties

Compound Name4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole
PubChem CID167200953
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole
SMILESCCC/C=C\C=C\c1cccc2[nH]ncc12
InChIInChI=1S/C14H16N2/c1-2-3-4-5-6-8-12-9-7-10-14-13(12)11-15-16-14/h4-11H,2-3H2,1H3,(H,15,16)/b5-4-,8-6+
InChIKeyKLFCAMPZTWWMTK-GSGSLZOQSA-N
XLogP3.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole 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 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole?
The IUPAC name of 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole (CID 167200953) is 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole.
What is the SMILES notation for 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole?
The canonical SMILES for 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole is CCC/C=C\C=C\c1cccc2[nH]ncc12.
What is the InChIKey of 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole?
The InChIKey is KLFCAMPZTWWMTK-GSGSLZOQSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-3-4-5-6-8-12-9-7-10-14-13(12)11-15-16-14/h4-11H,2-3H2,1H3,(H,15,16)/b5-4-,8-6+.
What are the key properties of 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole?
4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole has a molecular weight of 212.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z)-hepta-1,3-dienyl]-1H-indazole is sourced from PubChem (CID 167200953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).