3-(2-Nitrophenyl)pyrazole - CAS 59844-05-2
Catalog: |
BB030526 |
Product Name: |
3-(2-Nitrophenyl)pyrazole |
CAS: |
59844-05-2 |
Synonyms: |
5-(2-nitrophenyl)-1H-pyrazole; 5-(2-nitrophenyl)-1H-pyrazole |
IUPAC Name: | 5-(2-nitrophenyl)-1H-pyrazole |
Description: | 3-(2-Nitrophenyl)pyrazole (CAS# 59844-05-2) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C9H7N3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=NN2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7N3O2/c13-12(14)9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6H,(H,10,11) |
InChI Key: | LNRBQCSTNUDDGL-UHFFFAOYSA-N |
MDL: | MFCD00665858 |
LogP: | 2.50810 |
Publication Number | Title | Priority Date |
WO-2019165158-A1 | Il-6 inhibitors and methods of treatment | 20180222 |
US-2021206718-A1 | Il-6 inhibitors and methods of treatment | 20180222 |
JP-2020532581-A | Aromatic derivatives, their preparation methods, and their medical applications | 20170905 |
EP-2967073-A1 | Lxr modulators | 20130315 |
EP-2967073-B1 | Lxr modulators | 20130315 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 74.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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