5-Methyl-3-nitro-1H-pyrazole - CAS 1048925-02-5

Catalog:	BB059416
Product Name:	5-Methyl-3-nitro-1H-pyrazole
CAS:	1048925-02-5
Synonyms:	5-methyl-3-nitro-1h-pyrazole; 3-Methyl-5-nitro-1H-pyrazole; 5-methyl-3-nitropyrazole; 3-Methyl-5-nitropyrazole; 3-nitro-5-methylpyrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methyl-5-nitro-1H-pyrazole
Description:	5-Methyl-3-nitro-1H-pyrazole is a reagent used in the preparation of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase.
Molecular Weight:	127.1
Molecular Formula:	C4H5N3O2
Canonical SMILES:	CC1=NNC(=C1)[N+](=O)[O-]
InChI:	InChI=1S/C4H5N3O2/c1-3-2-4(6-5-3)7(8)9/h2H,1H3,(H,5,6)
InChI Key:	ASURMMBYYOJOTQ-UHFFFAOYSA-N
References:	Trani, G., et al. Bioorg. Med. Chem. Lett., 24, 5818 (2014).

Publication Number	Title	Priority Date
CN-112574213-A	Synthesis method of pyrazolotriazine energetic compound	20201211
CA-3115000-A1	Indolinone compounds for use as map4k1 inhibitors	20181005
CN-113227049-A	Indolinone compounds as MAP4K1 inhibitors	20181005
KR-20210068479-A	Indolinone Compounds for Use as MAP4K1 Inhibitors	20181005
JP-2022502455-A	Indolinone compounds for use as MAP4K1 inhibitors	20181005
US-2021198210-A1	Method for preparing nitropyrazoles	20180831
TW-201938566-A	Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical composition, therapeutic method and method of manufacturing the same	20180215
US-2019248809-A1	Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators	20180215
WO-2019161078-A1	Macrocycles as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cycstic fibrosis, and process for making them	20180215
AU-2019222758-A1	Macrocycles as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cycstic fibrosis, and process for making them	20180215

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8