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1H-Pyrazole-4-carboxylicacid, 5-[[(methoxycarbonyl)amino]sulfonyl]-1-methyl-, ethyl ester (139093-37-1)

Identification
Name:1H-Pyrazole-4-carboxylicacid, 5-[[(methoxycarbonyl)amino]sulfonyl]-1-methyl-, ethyl ester
Synonyms:N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide;
CAS:139093-37-1
Molecular Formula: C9H13N3O6S
Molecular Weight: 291.28
InChI: InChI=1/C9H13N3O6S/c1-4-18-8(13)6-5-10-12(2)7(6)19(15,16)11-9(14)17-3/h5H,4H2,1-3H3,(H,11,14)
Molecular Structure: (C9H13N3O6S) N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide;
Properties
Density:1.49
Refractive index:1.585
Specification:

The N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide with its cas register number is 139093-37-1. It also can be called as 5-[[(Methoxycarbonyl)amino]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester and the Systematic name about this chemical is 1H-pyrazole-4-carboxylic acid, 5-[[(methoxycarbonyl)amino]sulfonyl]-1-methyl-, ethyl ester.

Physical properties about N-(Methoxycarbonyl)-4-(ethoxycarbonyl)-1-methylpyrazole-5-sulfonamide are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 9; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 124.97Å2; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 65.21 cm3; (11)Molar Volume: 194.5 cm3; (12)Polarizability: 25.85x10-24cm3; (13)Surface Tension: 54.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cnn(c1S(=O)(=O)NC(=O)OC)C
(2)InChI: InChI=1/C9H13N3O6S/c1-4-18-8(13)6-5-10-12(2)7(6)19(15,16)11-9(14)17-3/h5H,4H2,1-3H3,(H,11,14)
(3)InChIKey: LESYFYPGPJQPKL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H13N3O6S/c1-4-18-8(13)6-5-10-12(2)7(6)19(15,16)11-9(14)17-3/h5H,4H2,1-3H3,(H,11,14)
(5)Std. InChIKey: LESYFYPGPJQPKL-UHFFFAOYSA-N

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