1-(4-Chlorophenyl)-1'-H-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol
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Basic information
- CAS
321998-07-6- Standard SMILES
Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n[nH]1- InChIKey
JVVMPTYSJCLVGX-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0777887
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-1'-H-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazol
- IUPAC
- 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
- English name
- 1-(4-CHLOROPHENYL)-1'-H-3,3'-DIMETHYL-5-HYDROXY[4,5']-BIPYRAZOL
- Molecular formula
- C14H13ClN4O
- Molecular weight
- 288.73
Names & synonyms
321998-07-61-(4-Chlorophenyl)-1'-H-3,3'-dimethyl-5-hydroxy[4,5']-bipyrazolMLS0003278932'-(4-chlorophenyl)-5,5'-dimethyl-2H,2'H-[3,4'-bipyrazole]-3'-olMFCD001412252-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-oneSMR000168479SCHEMBL1308740CHEMBL3144931BDBM57387cid_1473355DTXSID901187252
Show more names
[3,4'-Bi-1H-pyrazol]-5'-ol, 1'-(4-chlorophenyl)-3',5-dimethyl-
HMS2377B10AKOS00507425810E-9751'-(4-Chlorophenyl)-3',5-dimethyl-1H,1'H-[3,4'-bipyrazol]-5'-ol1a(2)-(4-Chlorophenyl)-3a(2),5-dimethyl[3,4a(2)-bi-1H-pyrazol]-5a(2)-ol2'-(4-Chlorophenyl)-5,5'-dimethyl-1',2'-dihydro-1H,3'H-[3,4'-bipyrazol]-3'-one2'-(4-chlorophenyl)-5,5'-dimethyl-2',3'-dihydro-1H,1'H-[3,4'-bipyrazol]-3'-one2-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-3-pyrazolin-3-one
Database identifiers
- CAS
321998-07-6- PubChem CID
- 1473355
- DTXSID
DTXSID901187252- ChEMBL
CHEMBL3144931
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 486.8 · 486.8±45.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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