1H-Pyrazol-3-amine, 5-(4-pyridinyl)- supplier

Name
5-PYRIDIN-4-YL-2H-PYRAZOL-3-YLAMINE
EINECS
CAS No. 91912-53-7
Article Data18
CAS DataBase
Density 1.315 g/cm³
Solubility
Melting Point 192-193 °C
Formula C₈H₈N₄
Boiling Point 465.369 °C at 760 mmHg
Molecular Weight 160.178
Flash Point 266.32 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Pyridine,4-[5(or 3)-aminopyrazol-3(or 5)-yl]- (7CI);3-Amino-5-(4-pyridinyl)-1H-pyrazole;5-(Pyridin-4-yl)-1H-pyrazol-3-amine;5-Amino-3-(pyridin-4-yl)-1H-pyrazole;[5-(Pyridin-4-yl)-1H-pyrazol-3-yl]amine;
PSA 67.59000
LogP 1.63510

1H-Pyrazol-3-amine, 5-(4-pyridinyl)- Specification

This chemical is called 1H-Pyrazol-3-amine, 5-(4-pyridinyl)-, and its systematic name is 3-(pyridin-4-yl)-1H-pyrazol-5-amine. With the molecular formula of C₈H₈N₄, its molecular weight is 160.18. The CAS registry number of this chemical is 91912-53-7.

Other characteristics of the 1H-Pyrazol-3-amine, 5-(4-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 8; (6)ACD/KOC (pH 7.4): 8; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.59 Å²; (11)Index of Refraction: 1.674; (12)Molar Refractivity: 45.697 cm³; (13)Molar Volume: 121.768 cm³; (14)Polarizability: 18.116×10^-24cm³; (15)Surface Tension: 71.725 dyne/cm; (16)Density: 1.315 g/cm³; (17)Flash Point: 266.32 °C; (18)Enthalpy of Vaporization: 72.696 kJ/mol; (19)Boiling Point: 465.369 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Nc1cc(nn1)c2ccncc2
2.InChI: InChI=1/C8H8N4/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h1-5H,(H3,9,11,12)
3.InChIKey: MDRGSALNBWSYJX-UHFFFAOYAW

Product Name

5-PYRIDIN-4-YL-2H-PYRAZOL-3-YLAMINE

1H-Pyrazol-3-amine, 5-(4-pyridinyl)- Specification

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