3-Chloro-1-methyl-4-nitro-1H-pyrazole - CAS 299930-70-4

Catalog:	BB020407
Product Name:	3-Chloro-1-methyl-4-nitro-1H-pyrazole
CAS:	299930-70-4
Synonyms:	3-chloro-1-methyl-4-nitropyrazole; 3-chloro-1-methyl-4-nitropyrazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-chloro-1-methyl-4-nitropyrazole
Description:	3-Chloro-1-methyl-4-nitro-1H-pyrazole (CAS# 299930-70-4 ) is a useful research chemical.
Molecular Weight:	161.55
Molecular Formula:	C4H4ClN3O2
Canonical SMILES:	CN1C=C(C(=N1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C4H4ClN3O2/c1-7-2-3(8(9)10)4(5)6-7/h2H,1H3
InChI Key:	UEDIAFCRVLLBSS-UHFFFAOYSA-N
LogP:	1.50490

Publication Number	Title	Priority Date
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
CN-109641882-A	Heteroaromatic derivative as NIK inhibitor	20160630
EP-3476848-A1	Benzofuran pyrazole amine protein kinase inhibitor	20160627
JP-2019520382-A	Benzofuran pyrazole amines protein kinase inhibitors	20160627
US-2019225600-A1	Benzofuran pyrazole amine kinase inhibitor	20160627

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.9992041
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.9992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1