5-Chloro-1-methyl-4-nitropyrazole - CAS 42098-25-9

Catalog:	BB025044
Product Name:	5-Chloro-1-methyl-4-nitropyrazole
CAS:	42098-25-9
Synonyms:	5-chloro-1-methyl-4-nitropyrazole; 5-chloro-1-methyl-4-nitropyrazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1-methyl-4-nitropyrazole
Description:	5-Chloro-1-methyl-4-nitropyrazole (CAS# 42098-25-9) is a useful research chemical.
Molecular Weight:	161.55
Molecular Formula:	C4H4ClN3O2
Canonical SMILES:	CN1C(=C(C=N1)[N+](=O)[O-])Cl
InChI:	InChI=1S/C4H4ClN3O2/c1-7-4(5)3(2-6-7)8(9)10/h2H,1H3
InChI Key:	POXLZEWCWNUVDW-UHFFFAOYSA-N
MDL:	MFCD21607270
LogP:	1.50490

Publication Number	Title	Priority Date
WO-2021075476-A1	Heterocyclic compound	20191018
WO-2019112269-A1	Pyrrolo(pyrazolo)pyrimidine derivative as lrrk2 inhibitor	20171205
CN-111433208-A	Pyrrolo (pyrazolo) pyrimidine derivatives as L RRK2 inhibitors	20171205
EP-3722298-A1	Pyrrolo(pyrazolo)pyrimidine derivative as lrrk2 inhibitor	20171205
KR-20200085779-A	Pyrrolo(pyrazolo)pyrimidine derivatives as LRRK2 inhibitors	20171205

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Related Functional Groups

Nitrogen Compounds

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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:	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