Basic information
- Standard SMILES
CCC(C)(C)C1CCc2[nH]nc(C(=O)N/N=C(\C)c3ccco3)c2C1- InChIKey
KZGGSTFHLWGOQL-UDWIEESQSA-N- Molecular formula
- C19H26N4O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.20557607
Names & identifiers
- Preferred name
- 5-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
- IUPAC
- N-[(E)-1-(furan-2-yl)ethylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Names & synonyms
MLS000769042SMR000433762518018-93-4CHEMBL3195463BDBM75640cid_3751730DTXSID601320930STL315113AKOS002170864AKOS016237076AKOS0220962435-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Show more names
ST50054027(E)-N'-(1-(furan-2-yl)ethylidene)-5-(tert-pentyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide5-(1,1-Dimethyl-propyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [1-furan-2-yl-eth-(E)-ylidene]-hydrazide5-(1,1-Dimethyl-propyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [1-furan-2-yl-eth-(E)-ylidene]-hydrazideN'-[(1E)-1-(FURAN-2-YL)ETHYLIDENE]-5-(2-METHYLBUTAN-2-YL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOHYDRAZIDEN'-[(1E)-1-(furan-2-yl)ethylidene]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazideN-((1E)-2-(2-furyl)-1-azaprop-1-enyl)[5-(1,1-dimethylpropyl)(1H-4,5,6,7-tetrah ydroindazol-3-yl)]carboxamideN-[(E)-1-(furan-2-yl)ethylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Database identifiers
- CAS
518018-93-4- PubChem CID
- 9634281
- DTXSID
DTXSID601320930- ChEMBL
CHEMBL3195463
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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