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 |
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 |
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 |
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 |
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 |
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