3H-Pyrazol-3-one,2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl- (277299-70-4)

The 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one, with the CAS registry number 277299-70-4, is also known as 1-(3,4-Dimethylphenyl)-3-methyl-1H-pyrazol-5-ol and ZINC09530926. This chemical's molecular formula is C₁₂H₁₄N₂O and formula weight is 202.25. What's more, its IUPAC name is called 2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one.

Physical properties of 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one: (1)XLogP3-AA: 2.6; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 3; (6)Exact Mass: 202.110613; (7)MonoIsotopic Mass: 202.110613; (8)Topological Polar Surface Area: 32.3; (9)Heavy Atom Count: 15; (10)Formal Charge: 0; (11)Complexity: 298; (12)Covalently-Bonded Unit Count: 1; (13)Feature 3D Acceptor Count: 1; (14)Feature 3D Donor Count: 1; (15)Feature 3D Ring Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)N2C(=O)C=C(N2)C)C
(2)InChI: InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-7,13H,1-3H3
(3)InChIKey: HBWBJCSXUJIDGN-UHFFFAOYSA-N