864068-97-3

Basic information

• Product Name: (1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL
• Synonyms: (1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL;5-(Hydroxymethyl)-1-methyl-3-phenyl-1H-pyrazole;5-(Hydroxymethyl)-1-methyl-3-phenyl-1H-pyrazole 97%;1H-Pyrazole-5-Methanol, 1-Methyl-3-phenyl-;5-(Hydroxymethyl)-1-methyl-3-phenyl-1H-pyrazole97%
• CAS NO: 864068-97-3
• Molecular Formula: C₁₁H₁₂N₂O
• Molecular Weight: 188.23
• Mol File: 864068-97-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 120 °C
• Boiling Point: 358°C at 760 mmHg
• Flash Point: 170.3°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 9.54E-06mmHg at 25°C
• Refractive Index: 1.593
• PKA: 14.28±0.10(Predicted)
• CAS DataBase Reference: (1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: (1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL(864068-97-3)
• EPA Substance Registry System: (1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL(864068-97-3)

Safety Data

• Hazardous Substances Data: 864068-97-3(Hazardous Substances Data)

Usage

General Description

(1-Methyl-3-phenyl-1H-pyrazol-5-yl)methanol is a chemical compound that consists of a pyrazole ring with a methyl and phenyl substituent, as well as a methanol group attached to the pyrazole ring. (1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHANOL is a derivative of pyrazole and is commonly used in organic synthesis and pharmaceutical research. It may have potential applications as a building block in the synthesis of various drugs and biologically active compounds. Additionally, it may also possess its own medicinal properties, although further research is needed to fully understand its potential uses. The compound should be handled and used with caution, as with any chemical substance.

InChI:InChI=1/C11H12N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3

Upstream product

• 10250-64-3 2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid 
• 1593622-78-6 4-oxo-4-phenylbut-2-yn-1-yl benzoate 
• 144-55-8 sodium hydrogencarbonate 
• 60-34-4 methylhydrazine 

Relevant articles and documents

Lead Optimization Generates CYP11B1 Inhibitors of Pyridylmethyl Isoxazole Type with Improved Pharmacological Profile for the Treatment of Cushing's Disease

Cushing's disease, characterized by elevated plasma cortisol levels, can be controlled by inhibition of 11β-hydroxylase (CYP11B1). The previously identified selective and potent CYP11B1 inhibitor 5-((5-methylpyridin-3-yl)methyl)-2-phenylpyridine Ref 7 (IC50= 2 nM) exhibited promutagenic potential as well as very low oral bioavailability in rats (F = 2%) and was therefore modified to overcome these drawbacks. Successful lead optimization resulted in similarly potent and selective 5-((5-methoxypyridin-3-yl)methyl)-3-phenylisoxazole 25 (IC50 = 2 nM, 14-fold selectivity over CYP11B2), exhibiting a superior pharmacological profile with no mutagenic potential. Furthermore, compound 25 inhibited rat CYP11B1 (IC50 = 2 μM) and showed a high oral bioavailability (F = 50%) and sufficient plasma concentrations in rats, providing an excellent starting point for a proof-of-principle study.