Basic information
- CAS
1020453-09-1- Standard SMILES
CC(C)CC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2- InChIKey
UFUGYHOAKHONOP-UHFFFAOYSA-N- Molecular formula
- C16H18FN3O2S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.11037616
Names & identifiers
- Preferred name
- N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
- IUPAC
- N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
Names & synonyms
1020453-09-1N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamideN-[2-(4-fluorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-3-methylbutanamideOprea1_281708MLS001167322CHEMBL1463754DTXSID301333150AKOS024583864N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-methylbutanamideSMR000640846SR-01000547019SR-01000547019-1
Show more names
F0561-0104N-[2-(4-Fluorophenyl)-5-oxo-2,4,5,6-tetrahydro-5lambda~4~-thieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
Database identifiers
- CAS
1020453-09-1- PubChem CID
- 756242
- DTXSID
DTXSID301333150- ChEMBL
CHEMBL1463754
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
Solubility45.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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