Basic information
- CAS
870680-36-7- Standard SMILES
NC(=S)N1N=C(c2ccc(F)cc2)CC1c1ccco1- InChIKey
MAMDYOIVAVDENG-UHFFFAOYSA-N- Molecular formula
- C14H12FN3OS
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.06851135
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazole-1-carbothioamide
- IUPAC
- 5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazole-2-carbothioamide
- English name
- 3-(4-Fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
- Molecular formula
- C14H12FN3OS
- Molecular weight
- 289.33
Names & synonyms
870680-36-73-(4-FLUOROPHENYL)-5-(FURAN-2-YL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDECHEMBL225234BDBM11009DTXSID904697431-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole deriv. 6
Database identifiers
- CAS
870680-36-7- PubChem CID
- 11630659
- DTXSID
DTXSID90469743- ChEMBL
CHEMBL225234- Nikkaji
- J2.272.247F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Chemistry & industry
Suppliers1 total
MILESTONE[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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