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Name |
AM 251 |
EINECS | N/A |
CAS No. | 183232-66-8 | Density | 1.65 g/cm3 |
PSA | 50.16000 | LogP | 6.21860 |
Solubility | DMSO: >10 mg/mL, soluble | Melting Point |
195-196℃ |
Formula | C22H21Cl2IN4O | Boiling Point | N/A |
Molecular Weight | 555.245 | Flash Point | N/A |
Transport Information | N/A | Appearance | white solid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2, 4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide;AM251 (pharmaceutical); |
Article Data | 3 |
The 1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-1-piperidinyl-, with the CAS registry number 183232-66-8, is also known as N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2, 4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide. It belongs to the product categories of Cannabinoid Receptor; Cannabinoid. This chemical's molecular formula is C22H21Cl2IN4O and molecular weight is 555.23881. Its IUPAC name is called 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide. This chemical's classification code is CB1 Cannabinoid inverse agonist. It can be used as inhibitor of CB1 receptors.
Physical properties of 1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-1-piperidinyl-: (1)ACD/LogP: 6.77; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.77; (4)ACD/LogD (pH 7.4): 6.77; (5)ACD/BCF (pH 5.5): 81574.93; (6)ACD/BCF (pH 7.4): 81989.87; (7)ACD/KOC (pH 5.5): 113927.54; (8)ACD/KOC (pH 7.4): 114507.03; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.702; (13)Molar Refractivity: 130.28 cm3; (14)Molar Volume: 336.1 cm3; (15)Surface Tension: 53.9 dyne/cm; (16)Density: 1.65 g/cm3.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I
(2)InChI: InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
(3)InChIKey: BUZAJRPLUGXRAB-UHFFFAOYSA-N