4-Bromo-1-(tert-butyl)-1H-pyrazole - CAS 70951-85-8

Catalog:	BB034272
Product Name:	4-Bromo-1-(tert-butyl)-1H-pyrazole
CAS:	70951-85-8
Synonyms:	4-bromo-1-tert-butylpyrazole; 4-bromo-1-tert-butylpyrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-tert-butylpyrazole
Description:	4-Bromo-1-(tert-butyl)-1H-pyrazole (CAS# 70951-85-8) is a useful research chemical.
Molecular Weight:	203.08
Molecular Formula:	C7H11BrN2
Canonical SMILES:	CC(C)(C)N1C=C(C=N1)Br
InChI:	InChI=1S/C7H11BrN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChI Key:	KLLXOOSSATXFFY-UHFFFAOYSA-N
LogP:	2.40060

Publication Number	Title	Priority Date
WO-2020207941-A1	Heterocyclic compounds as inhibitors of monoacylglycerol lipase (magl)	20190409
TW-202104236-A	New heterocyclic compounds	20190409
WO-2020079224-A1	Azithromycin derivatives containing a phosphonium ion as anticancer agents	20181019
EP-3867259-A1	Azithromycin derivatives containing a phosphonium ion as anticancer agents	20181019
CN-113056264-A	Farnesoin X receptor agonists and uses thereof	20180918

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Related Functional Groups

Pyrazoles

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[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.01056
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.01056
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8