3-Methoxy-4-nitropyrazole - CAS 400755-41-1
Catalog: |
BB024288 |
Product Name: |
3-Methoxy-4-nitropyrazole |
CAS: |
400755-41-1 |
Synonyms: |
5-methoxy-4-nitro-1H-pyrazole; 5-methoxy-4-nitro-1H-pyrazole |
IUPAC Name: | 5-methoxy-4-nitro-1H-pyrazole |
Description: | 3-Methoxy-4-nitropyrazole (CAS# 400755-41-1) is used as a reagent in the preparation of pyridine compounds which act as focal adhesion kinase inhibitors and therefore me be useful in treatment of diseases such as cancer in warm-blooded animals. 3-Methoxy-4-nitro-1H-pyrazole is also used as a reagent in the synthesis of purine derivatives which may act as inhibitors of mutant EGF receptors. |
Molecular Weight: | 143.10 |
Molecular Formula: | C4H5N3O3 |
Canonical SMILES: | COC1=C(C=NN1)[N+](=O)[O-] |
InChI: | InChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6) |
InChI Key: | GLNYWXCDHONDOZ-UHFFFAOYSA-N |
MDL: | MFCD03419421 |
LogP: | 0.84970 |
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 |
Publication Number | Title | Priority Date |
CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 20190129 |
WO-2020156283-A1 | Alkynylpyrimidine or alkynylpyridine compound, and composition and application thereof | 20190129 |
WO-2019166558-A1 | Use of pyrazole propargyl ethers as nitrification inhibitors | 20180228 |
WO-2019166560-A1 | Use of n-functionalized alkoxy pyrazole compounds as nitrification inhibitors | 20180228 |
AU-2019226359-A1 | Use of N-functionalized alkoxy pyrazole compounds as nitrification inhibitors | 20180228 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.03309103 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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