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Basic Information
CAS No.: 17900-68-4
Name: 2,4-dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one
Article Data: 8
Molecular Structure:
Molecular Structure of 17900-68-4 (2,4-dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one)
Formula: C11H12N2O
Molecular Weight: 188.229
Synonyms: 2-Pyrazolin-5-one,3,4-dimethyl-1-phenyl- (6CI,7CI,8CI);1-Phenyl-3,4-dimethylpyrazolin-5-one;3,4-Dimethyl-1-phenyl-2-pyrazolin-5-one;3,4-Dimethyl-1-phenylpyrazolone;
EINECS: 241-844-1
Density: 1.15 g/cm3
Boiling Point: 334.5 °C at 760 mmHg
Flash Point: 156.1 °C
PSA: 32.67000
LogP: 1.54580
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Specification

This chemical is called 3H-Pyrazol-3-one,2,4-dihydro-4,5-dimethyl-2-phenyl-, and its systematic name is 4,5-Dimethyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one. With the molecular formula of C11H12N2O, its molecular weight is 188.23. The CAS registry number of the chemical is 17900-68-4. 

Other characteristics of 3H-Pyrazol-3-one,2,4-dihydro-4,5-dimethyl-2-phenyl- can be summarised as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.98; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 76.11; (8)ACD/KOC (pH 7.4): 76.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 55.63 cm3; (15)Molar Volume: 163.6 cm3; (16)Polarizability: 22.05 10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 57.75 kJ/mol; (21)Boiling Point: 334.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(/N=C(\C1C)C)c2ccccc2
2.InChI: InChI=1/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3
3.InChIKey: BQCMHLUBBYCYFL-UHFFFAOYAU
4.Std. InChI: InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3
5.Std. InChIKey: BQCMHLUBBYCYFL-UHFFFAOYSA-N