1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid - CAS 17607-80-6
Catalog: |
BB013192 |
Product Name: |
1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid |
CAS: |
17607-80-6 |
Synonyms: |
5-methyl-1-(phenylmethyl)-3-pyrazolecarboxylic acid; 1-benzyl-5-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 1-benzyl-5-methylpyrazole-3-carboxylic acid |
Description: | 1-Benzyl-5-methyl-1H-pyrazole-3-carboxylic Acid (CAS# 17607-80-6) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CC1=CC(=NN1CC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C12H12N2O2/c1-9-7-11(12(15)16)13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16) |
InChI Key: | AIYMHQTUFQNZMJ-UHFFFAOYSA-N |
Appearance: | White solid |
LogP: | 1.93800 |
Publication Number | Title | Priority Date |
US-2021094951-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
WO-2021046515-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
EP-3390391-A1 | Novel compounds | 20151217 |
JP-2019504009-A | New compound | 20151217 |
KR-20180095625-A | Novel compounds | 20151217 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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