1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid - CAS 913376-56-4
Catalog: |
BB040128 |
Product Name: |
1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid |
CAS: |
913376-56-4 |
Synonyms: |
1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxylic acid; 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid |
IUPAC Name: | 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid |
Description: | 1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid (CAS# 913376-56-4 ) is a useful research chemical. |
Molecular Weight: | 290.31 |
Molecular Formula: | C15H18N2O4 |
Canonical SMILES: | CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H18N2O4/c1-10-12(14(19)20)13(18)17(11-7-5-4-6-8-11)16(10)9-15(2,3)21/h4-8,21H,9H2,1-3H3,(H,19,20) |
InChI Key: | JFOCTAMIXFTZBB-UHFFFAOYSA-N |
LogP: | 1.41650 |
Publication Number | Title | Priority Date |
WO-2014175370-A1 | Pyrrolidine derivative and pharmaceutical composition containing same | 20130425 |
AU-2011295441-A1 | Furopyridine derivatives | 20100827 |
AU-2011295441-B2 | Furopyridine derivatives | 20100827 |
EP-2609100-A2 | Furopyridine derivatives | 20100827 |
EP-2609100-B1 | Furopyridine derivatives | 20100827 |
Complexity: | 478 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.12665706 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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