Chemical Properties of 3-tert-Butyl-1-phenyl-2-pyrazolin-5-one (CAS 6631-89-6)

3-tert-Butyl-1-phenyl-2-pyrazolin-5-one

InChI
InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key
NOSULZKBEJXMKJ-UHFFFAOYSA-N
Formula
C13H16N2O
SMILES
CC(C)(C)C1=NN(c2ccccc2)C(=O)C1
Molecular Weight1
216.28
CAS
6631-89-6
Other Names
  • 3H-Pyrazol-3-one, 5-(1,1-dimethylethyl)-2,4-dihydro-2-phenyl-
  • 2-Pyrazolin-5-one, 3-tert-butyl-1-phenyl-
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Physical Properties

Property Value Unit Source
IE 8.06 eV Relay (1.0) Calculated Property
logPoct/wat 2.825 Crippen Calculated Property
McVol 176.640 ml/mol McGowan Calculated Property

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Similar Compounds

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-. 2-Pyrazoline-5-one, 4,4-dimethyl-3-isopropyl-1-phenyl-. 1-(3-Chlorophenyl)-3-methyl-5-pyrazolone. 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-. 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester. 4-CHLORO-3-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)BENZENESULFONIC ACID. Picrolonic acid. cannabinolic acid, methyl-boronate. 3',5'-Diacetylthymidine. CYCLOTHIAZIDE. cannabinolic acid, n-butyl-boronate. THYMIDINE, 3'-(O-TERT.-BUTYLDIMETHYLSILYL)-5'-ACETYL-. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Mirtazapine-M (HO-) AC.

Find more compounds similar to 3-tert-Butyl-1-phenyl-2-pyrazolin-5-one.

Sources

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