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1H-Pyrazol-5-amine,3-(4-methoxyphenyl)-1-methyl- (92469-35-7)

Identification
Name:1H-Pyrazol-5-amine,3-(4-methoxyphenyl)-1-methyl-
Synonyms:3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine
CAS:92469-35-7
Molecular Formula: C11H13N3O
Molecular Weight: 203.24
InChI: InChI=1/C11H13N3O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,12H2,1-2H3
Molecular Structure: (C11H13N3O) 3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine
Properties
Melting Point: 140-141 ºC
Density:1.19
Refractive index:1.6
Specification:

The 3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine, with CAS registry number 92469-35-7, has the systematic name of 3-(4-methoxyphenyl)-1-methyl-1H-pyrazol-5-amine. Besides this, it is also called 1H-pyrazol-5-amine, 3-(4-methoxyphenyl)-1-methyl-. And the chemical formula of this chemical is C11H13N3O.

Physical properties about this chemical are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.44; (8)ACD/KOC (pH 7.4): 29.84; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 30.29 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 58.08 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 23.02×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 65.26 kJ/mol; (19)Vapour Pressure: 1.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)c2nn(c(N)c2)C)C
(2)InChI: InChI=1/C11H13N3O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,12H2,1-2H3
(3)InChIKey: OSVZDKNTAGWKQX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H13N3O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,12H2,1-2H3
(5)Std. InChIKey: OSVZDKNTAGWKQX-UHFFFAOYSA-N

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