Name: 5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE&
SKU: 14678-95-6

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Basic Information

Molecular Structure:
CAS No.:	14678-95-6
Name:	5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE&
Article Data:	1

Formula:	C₁₁H₁₁N₃O₃
Molecular Weight:	233.227
Synonyms:	Pyrazole-4-carboxylicacid, 5-amino-1-(p-methoxyphenyl)- (8CI);5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid;
Density:	1.41 g/cm³
Melting Point:	180-185 °C (dec.)(lit.)
Boiling Point:	462.2 °C at 760 mmHg
Flash Point:	233.4 °C
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	26-36/37
PSA:	90.37000
LogP:	1.74250

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Specification

The CAS register number of 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid is 14678-95-6. It also can be called as 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methoxyphenyl)- and the systematic name about this chemical is 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid. The molecular formula about this chemical is C₁₁H₁₁N₃O₃and molecular weight is 233.22. It belongs to the following product categories, such as Building Blocks; Heterocyclic Building Blocks; Pyrazoles and so on.

Physical properties about 5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 0.02; (3)ACD/LogD (pH 7.4): -1.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 56.59Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 59.97 cm³; (14)Molar Volume: 165.1 cm³; (15)Polarizability: 23.77x10^-24cm³; (16)Surface Tension: 56.8 dyne/cm; (17)Enthalpy of Vaporization: 76.2 kJ/mol; (18)Boiling Point: 462.2 °C at 760 mmHg; (19)Vapour Pressure: 2.42E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitization by skin contact. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cnn(c1ccc(OC)cc1)c2N
(2)InChI: InChI=1/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(3)InChIKey: XOMCPZHFKFCRLB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H11N3O3/c1-17-8-4-2-7(3-5-8)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
(5)Std. InChIKey: XOMCPZHFKFCRLB-UHFFFAOYSA-N