Pyrazole - CAS 288-13-1

Name: Pyrazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1H-pyrazole
Description:	Pyrazole (CAS# 288-13-1) is a versatile building block, with a vast applications in organic synthesis. The derivatives of Pyrazole are used in medicine, for their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, tranquilizing, muscle relaxing, psychoanaleptic, anticonvulsant, monoamineoxidase inhibiting, antidiabetic and antibacterial activities.
Molecular Weight:	68.08
Molecular Formula:	C3H4N2
Canonical SMILES:	C1=CNN=C1
InChI:	InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChI Key:	WTKZEGDFNFYCGP-UHFFFAOYSA-N
Boiling Point:	186-188 °C
Melting Point:	66-70 °C
Purity:	95 %
Density:	1.116 g/cm³
Appearance:	White crystal
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00005234
LogP:	0.40970
Vapor Pressure:	1.19 [mmHg]

GHS Hazard Statement:	H302 (99.32%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2020079790-A1	Methods of selective aryl- and heteroaryl-nitrogen bond formation	20170315
US-10071988-B2	Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators	20160210
US-2017226089-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210
US-2018334451-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210
US-2019135791-A1	Substituted 1,2,3-triazoles as nr2b-selective nmda modulators	20160210

PMID	Publication Date	Title	Journal
33737021	20210501	Pyrazole (1, 2-diazole) induce apoptosis in lymphoma cells by targeting BCL-2 and BCL-XL genes and mitigate murine solid tumour development by regulating cyclin-D1 and Ki-67 expression	Toxicology and applied pharmacology
33094891	20210301	Discovery of novel pyrazole derivatives as a potent anti-inflammatory agent in RAW264.7 cells via inhibition of NF-ĸB for possible benefit against SARS-CoV-2	Journal of biochemical and molecular toxicology
32434089	20201001	Fluxapyroxad induces developmental delay in zebrafish (Danio rerio)	Chemosphere
29478803	20180501	Design and synthesis of 1-(1-benzothiophen-7-yl)-1H-pyrazole, a novel series of G protein-coupled receptor 52 (GPR52) agonists	Bioorganic & medicinal chemistry
28890382	20171101	In\xa0vitro genotoxicity and in\xa0vivo subchronic evaluation of the anti-inflammatory pyrazole compound LQFM021	Chemico-biological interactions

Complexity:	28.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	68.037448136
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	68.037448136
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3