1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol
Basic information
- CAS
245039-44-5- Standard SMILES
Cc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(CCO)n1- InChIKey
BVZYDNKKPFPMJH-UHFFFAOYSA-N- Molecular formula
- C16H18N4O2
- Average molar mass
- 298.34 g/mol
- Monoisotopic mass
- 298.14297583
Names & identifiers
- Preferred name
- 1-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol
- IUPAC
- 4-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Names & synonyms
245039-44-51-Phenyl-1'-(2-hydroxyethyl)-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol2-(2-hydroxyethyl)-5,5'-dimethyl-2'-phenyl-2H,2'H-[3,4'-bipyrazole]-3'-ol4-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-5-methyl-2-phenyl-1H-pyrazol-3-oneSCHEMBL1307963NHLDBLJHJOHCLB-UHFFFAOYSA-NDTXSID401170424AKOS00507421110E-9442-(2-hydroxy-ethyl)-5,5'-dimethyl-2'-phenyl-2h, 2'h-[3,4']bipyrazolyl-3'-ol2-(2-Hydroxy-ethyl)-5,5'-dimethyl-2'-phenyl-2H,2'H-[3,4']bipyrazolyl-3'-ol2-(2-Hydroxyethyl)-3',5-dimethyl-1'-phenyl-1'H,2H-[3,4'-bipyrazol]-5'-ol
Show more names
5-Hydroxy-3,3a(2)-dimethyl-1-phenyl[4,5a(2)-bi-1H-pyrazole]-1a(2)-ethanol2-(2-Hydroxyethyl)-5,5'-dimethyl-2'-phenyl-1',2'-dihydro-2H,3'H-[3,4'-bipyrazol]-3'-one
Database identifiers
- CAS
245039-44-5- PubChem CID
- 1473344
- DTXSID
DTXSID401170424
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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