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64174-46-5

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Basic Information
CAS No.: 64174-46-5
Name: 5-chloro-N-(3-chlorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
Article Data: 2
Molecular Structure:
Molecular Structure of 64174-46-5 (5-chloro-N-(3-chlorophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide)
Formula: C12H11Cl2N3O
Molecular Weight: 284.145
Synonyms: ZINC06068826;
Density: 1.39 g/cm3
Boiling Point: 357.2 °C at 760 mmHg
Flash Point: 169.9 °C
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Specification

The 1H-Pyrazole-4-carboxamide,5-chloro-N-(3-chlorophenyl)-1,3-dimethyl-, with the CAS registry number 64174-46-5, is also known as ZINC06068826. This chemical's molecular formula is C12H11Cl2N3O and molecular weight is 283.027917. Its IUPAC name is called 5-chloro-N-(3-chlorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Physical properties of 1H-Pyrazole-4-carboxamide,5-chloro-N-(3-chlorophenyl)-1,3-dimethyl-: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.01; (6)ACD/BCF (pH 7.4): 123.98; (7)ACD/KOC (pH 5.5): 1096.73; (8)ACD/KOC (pH 7.4): 1096.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 72.49 cm3; (14)Molar Volume: 203.1 cm3; (15)Surface Tension: 46.3 dyne/cm; (16)Density: 1.39 g/cm3; (17)Flash Point: 169.9 °C; (18)Enthalpy of Vaporization: 60.26 kJ/mol; (19)Boiling Point: 357.2 °C at 760 mmHg; (20)Vapour Pressure: 2.76E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)Cl)Cl)C
(2)InChI: InChI=1S/C12H11Cl2N3O/c1-7-10(11(14)17(2)16-7)12(18)15-9-5-3-4-8(13)6-9/h3-6H,1-2H3,(H,15,18)
(3)InChIKey: UYRHVNDOUDUUNX-UHFFFAOYSA-N