Basic information
- Name:
1H-Pyrazole-1-ethanol,5-amino-
- Superlist Name:
- 5-Amino-1-(2-hydroxyethyl)pyrazole
- CAS No.:
73616-27-0
- Molecular Structure:
- Formula:
- C5H9N3O
- Molecular Weight:
- 127.14
- Synonyms:
- Pyrazole-1-ethanol,5-amino- (6CI);2-(5-Amino-1H-pyrazol-1-yl)ethanol;NSC 267219;
- Density:
- 1.35 g/cm3
- Melting Point:
- 107-110 °C
- Boiling Point:
- 337.9 °C at 760 mmHg
- Flash Point:
- 158.2 °C
- Appearance:
- white crystal
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Specification
The IUPAC name of 5-Amino-1-(2-hydroxyethyl)pyrazole is 2-(5-aminopyrazol-1-yl)ethanol. With the CAS registry number 73616-27-0, it is also named as 1H-Pyrazole-1-ethanol,5-amino-. It is white crystal which is used as an intermediate for cefoselis. In addition, its molecular formula is C5H9N3O and molecular weight is 127.14.
The other characteristics of 5-Amino-1-(2-hydroxyethyl)pyrazole can be summarized as: (1)ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 4; (4)H bond donors: 3; (5)Freely Rotating Bonds: 4; (6)Polar Surface Area: 30.29 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 32.81 cm3; (9)Molar Volume: 93.8 cm3; (10)Polarizability: 13×10-24cm3; (11)Surface Tension: 58.3 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 158.2 °C; (14)Melting Point: 107-110 °C; (15)Enthalpy of Vaporization: 61.34 kJ/mol; (16)Boiling Point: 337.9 °C at 760 mmHg; (17)Vapour Pressure: 3.97E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:OCCn1nccc1N
(2)InChI:InChI=1/C5H9N3O/c6-5-1-2-7-8(5)3-4-9/h1-2,9H,3-4,6H2
(3)InChIKey:IHQRJCVJAUKIEP-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C5H9N3O/c6-5-1-2-7-8(5)3-4-9/h1-2,9H,3-4,6H2
(5)Std. InChIKey:IHQRJCVJAUKIEP-UHFFFAOYSA-N
