Basic information
- CAS
329222-64-2- Standard SMILES
COc1cccc(C2CC(c3cccs3)=NN2c2ccc(F)cc2)c1OC- InChIKey
NRPDWDJCSSPFGU-UHFFFAOYSA-N- Molecular formula
- C21H19FN2O2S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.11512719
Names & identifiers
- Preferred name
- 5-(2,3-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
- IUPAC
- 3-(2,3-dimethoxyphenyl)-2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
- English name
- 5-(2,3-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
- Molecular formula
- C21H19FN2O2S
- Molecular weight
- 382.4511632
Names & synonyms
5-(2,3-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole329222-64-2CBMicro_025573CCG-12350AKOS0242745953-(2,3-dimethoxyphenyl)-2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazoleST005494BIM-0025303.P001AK-968/114920551-[1-(4-fluorophenyl)-3-(2-thienyl)(2-pyrazolin-5-yl)]-2,3-dimethoxybenzene
Database identifiers
- CAS
329222-64-2- PubChem CID
- 2853979
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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