Basic Information | Post buying leads | Suppliers |
Name |
6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
EINECS | N/A |
CAS No. | 4604-43-7 | Density | 1.51 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H14ClN5O3 | Boiling Point | 651 °C at 760 mmHg |
Molecular Weight | 407.8099 | Flash Point | 347.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile; |
The 6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, with the CAS registry number 4604-43-7, is also known as 6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile. The molecular formula of this chemical is C20H14ClN5O3 and molecular weight is 407.8099. What's more, its IUPAC name is 6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile.
Physical properties about 6-Amino-1-(3-chlorophenyl)-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile are: (1)ACD/LogP: 3.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 402.51; (6)ACD/BCF (pH 7.4): 402.81; (7)ACD/KOC (pH 5.5): 2546.87; (8)ACD/KOC (pH 7.4): 2548.8; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 99.9 Å2; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 106.82 cm3; (15)Molar Volume: 269.6 cm3; (16)Polarizability: 42.34×10-24 cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 347.5 °C; (20)Enthalpy of Vaporization: 95.94 kJ/mol; (21)Boiling Point: 651 °C at 760 mmHg; (22)Vapour Pressure: 7.87E-17 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)C4C(/C#N)=C(\Oc2c4c(nn2c3cccc(Cl)c3)C)N
(2) InChI: InChI=1/C20H14ClN5O3/c1-11-17-18(12-5-7-14(8-6-12)26(27)28)16(10-22)19(23)29-20(17)25(24-11)15-4-2-3-13(21)9-15/h2-9,18H,23H2,1H3
(3) InChIKey: LUFJNPKIHVKFGR-UHFFFAOYAM