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23286-70-6

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Basic Information
CAS No.: 23286-70-6
Name: 5-AMINO-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Molecular Structure:
Molecular Structure of 23286-70-6 (5-AMINO-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER)
Formula: C7H11 N3 O2
Molecular Weight: 169.183
Synonyms: Pyrazole-4-carboxylicacid, 3(or 5)-amino-5(or 3)-methyl-, ethyl ester (6CI);Pyrazole-4-carboxylicacid, 3-amino-5-methyl-, ethyl ester (8CI);3-Amino-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl3-amino-5-methyl-1H-pyrazole-4-carboxylate;Ethyl3-methyl-5-aminopyrazol-4-carboxylate;5-amino-3-methyl-1h-pyrazole-4-carboxylic acid ethyl ester;1h-pyrazole-4-carboxylic acid, 3-amino-5-methyl-, ethyl ester;5-amino-3-methyl-1h-pyrazole-4-carboxylic acid;ethyl 1-methyl-5-amino pyrozole carboxylate;
Density: 1.263g/cm3
Melting Point: 54 °C
Boiling Point: 342.1 °C at 760 mmHg
Flash Point: 160.7 °C
PSA: 81.00000
LogP: 1.05820
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Specification

The Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate with cas registry number of 23286-70-6, is also named Pyrazole-4-carboxylicacid, 3(or 5)-amino-5(or 3)-methyl-, ethyl ester (6CI) ; 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester .

Physical properties of Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate :(1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.24; (6)ACD/BCF (pH 7.4): 4.25; (7)ACD/KOC (pH 5.5): 97.74; (8)ACD/KOC (pH 7.4): 97.99; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.36 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 44.24 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 17.53×10-24cm3; (17)Surface Tension: 57.7 dyne/cm; (18)Enthalpy of Vaporization: 58.58 kJ/mol; (19)Vapour Pressure: 7.69E-05 mmHg at 25°C.


You can still convert the following datas into molecular structure:(1)SMILES:O=C(OCC)c1c(nnc1C)N; (2)InChI:InChI=1/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10); (3)InChIKey:WOCMIZZYXHVSPS-UHFFFAOYAD; (4)Std. InChI:InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4(2)9-10-6(5)8/h3H2,1-2H3,(H3,8,9,10); (5)Std. InChIKey:WOCMIZZYXHVSPS-UHFFFAOYSA-N.