3-amino-4-bromo-1-methylpyrazole - CAS 146941-72-2

Catalog:	BB010137
Product Name:	3-amino-4-bromo-1-methylpyrazole
CAS:	146941-72-2
Synonyms:	4-bromo-1-methyl-3-pyrazolamine; 4-bromo-1-methylpyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1-methylpyrazol-3-amine
Description:	3-amino-4-bromo-1-methylpyrazole (CAS# 146941-72-2) is a useful research chemical.
Molecular Weight:	176.01
Molecular Formula:	C4H6BrN3
Canonical SMILES:	CN1C=C(C(=N1)N)Br
InChI:	InChI=1S/C4H6BrN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7)
InChI Key:	WYPUMGAZSVZUGJ-UHFFFAOYSA-N
Boiling Point:	274.6 °C at 760 mmHg
Melting Point:	90 °C
Purity:	95 %
Density:	1.91 g/cm³
Appearance:	Solid
MDL:	MFCD00041508
LogP:	1.34600

Publication Number	Title	Priority Date
CN-111303035-A	Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid	20200318
WO-2021127337-A1	Trpml modulators	20191219
BR-112020013788-A2	compound, pharmaceutical composition, use of a compound, and method of treatment.	20180110
US-2020369672-A1	2,4,6,7-tetrahydro-pyrazolo[4,3-d]pyrimidin-5-one derivatives and related compounds as c5a receptor modulators for treating vasculitis and inflammatory diseases	20180110
CA-3071825-A1	Heterocyclic compound	20170731

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.97451
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6