1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-3-(thienyl)-
Basic information
- CAS
89145-10-8- Standard SMILES
COc1ccc(C2CC(c3cccs3)=NN2)cc1- InChIKey
ZTUBGKIPJZJGRT-UHFFFAOYSA-N- Molecular formula
- C14H14N2OS
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.08268425
Names & identifiers
- Preferred name
- 1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-3-(thienyl)-
- IUPAC
- 5-(4-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
Names & synonyms
89145-10-81H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-3-(thienyl)-DTXSID504030625-(4-Methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
Database identifiers
- CAS
89145-10-8- PubChem CID
- 4417871
- DTXSID
DTXSID50403062
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
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