Name: 5-BENZYL-1H-PYRAZOL-3-AMINE
SKU: 150712-24-6

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Basic Information

Molecular Structure:
CAS No.:	150712-24-6
Name:	5-BENZYL-1H-PYRAZOL-3-AMINE
Article Data:	4

Formula:	C₁₀H₁₁N₃
Molecular Weight:	173.217
Synonyms:	5-Benzyl-1H-pyrazol-3-amine;
Density:	1.214 g/cm³
Boiling Point:	405.316 °C at 760 mmHg
Flash Point:	227.89 °C
PSA:	55.43000
LogP:	1.51280

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Specification

The 1H-Pyrazol-3-amine,5-(phenylmethyl)-, with the CAS registry number 150712-24-6, is also known as 5-Benzyl-1H-pyrazol-3-amine. This chemical's molecular formula is C₁₀H₁₁N₃ and molecular weight is 173.22. What's more, its systematic name is 3-benzyl-1H-pyrazol-5-amine.

Physical properties of 1H-Pyrazol-3-amine,5-(phenylmethyl)- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 66; (8)ACD/KOC (pH 7.4): 86; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 54.7 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 52.328 cm³; (15)Molar Volume: 142.662 cm³; (16)Polarizability: 20.744×10^-24cm³; (17)Surface Tension: 60.522 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 227.89 °C; (20)Enthalpy of Vaporization: 65.689 kJ/mol; (21)Boiling Point: 405.316 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc2cc(Cc1ccccc1)nn2
(2)Std. InChI: InChI=1S/C10H11N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13)
(3)Std. InChIKey: VEPHCDGFBYQNGE-UHFFFAOYSA-N