CAS No.105434-90-0,ethyl 5-amino-1H-pyrazole-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105434-90-0
Name:	ethyl 5-amino-1H-pyrazole-3-carboxylate
Article Data:	12

Formula:	C₆H₉N₃O₂
Molecular Weight:	155.156
Synonyms:	5-Amino-3-pyrazolecarboxylicacid ethyl ester;
Density:	1.318 g/cm³
Boiling Point:	391.9 °C at 760 mmHg
Flash Point:	190.8 °C
PSA:	81.00000
LogP:	0.74980

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Specification

The 1H-Pyrazole-3-carboxylicacid, 5-amino-, ethyl ester is an organic compound with the formula C₆H₉N₃O₂. The systematic name of this chemical is ethyl 3-amino-1H-pyrazole-5-carboxylate. With the CAS registry number 105434-90-0, it is also named as 5-Amino-1H-pyrazole-3-carboxylic acid ethyl ester. In addition, the molecular weight is 155.15456.

The other characteristics of 1H-Pyrazole-3-carboxylicacid, 5-amino-, ethyl ester can be summarized as: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.24; (8)ACD/KOC (pH 7.4): 15.24; (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: 1.584; (14)Molar Refractivity: 39.41 cm³; (15)Molar Volume: 117.6 cm³; (16)Polarizability: 15.62×10^-24 cm³; (17)Surface Tension: 63 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 190.8 °C; (20)Enthalpy of Vaporization: 64.16 kJ/mol; (21)Boiling Point: 391.9 °C at 760 mmHg; (22)Vapour Pressure: 2.38E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC)c1cc(nn1)N
2. InChI:InChI=1/C6H9N3O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
3. InChIKey:CPQKGGOPHDHAMN-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)
5. Std. InChIKey:CPQKGGOPHDHAMN-UHFFFAOYSA-N