3,5-Dimethyl-1-phenylpyrazole - CAS 1131-16-4
Catalog: |
BB003103 |
Product Name: |
3,5-Dimethyl-1-phenylpyrazole |
CAS: |
1131-16-4 |
Synonyms: |
3,5-dimethyl-1-phenylpyrazole; 3,5-dimethyl-1-phenylpyrazole |
IUPAC Name: | 3,5-dimethyl-1-phenylpyrazole |
Description: | 3,5-Dimethyl-1-phenylpyrazole (CAS# 1131-16-4) is a reactant used in the synthesis of hedgehog enzyme inhibitors SANT-1 and GANT-61 as anticancer agents. |
Molecular Weight: | 172.23 |
Molecular Formula: | C11H12N2 |
Canonical SMILES: | CC1=CC(=NN1C2=CC=CC=C2)C |
InChI: | InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3 |
InChI Key: | ULPMPUPEFBDQQA-UHFFFAOYSA-N |
Boiling Point: | 272.5 °C at 760 mmHg |
Density: | 1.03 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00020728 |
LogP: | 2.48910 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021150561-A | Abrasive and polishing method | 20200323 |
WO-2021109057-A1 | Long-afterglow luminescent organic microspheres, and method for preparation thereof and application thereof | 20191205 |
WO-2021109059-A1 | Long-afterglow luminescent styrene polymer microsphere, preparation method therefor and application thereof | 20191205 |
WO-2020262628-A1 | Polishing composition using polishing particles containing basic substance and having high water affinity | 20190627 |
WO-2020252760-A1 | Controllable long persistent luminescent material | 20190621 |
PMID | Publication Date | Title | Journal |
21587838 | 20100609 | 4-{[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one | Acta crystallographica. Section E, Structure reports online |
20380438 | 20100505 | Intramolecular pi-stacking in a phenylpyrazole-based iridium complex and its use in light-emitting electrochemical cells | Journal of the American Chemical Society |
21203006 | 20080709 | Dichloridobis(3,5-dimethyl-1H-pyrazol-4-amine-κN)cobalt(II) | Acta crystallographica. Section E, Structure reports online |
12210778 | 20020501 | Synthesis and antitumor evaluation of new polysubstituted thiazole and derived thiazolo[4, 5-d]pyrimidine systems | Archiv der Pharmazie |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.100048391 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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