1,3-Dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1004727-40-5
Catalog: |
BB048616 |
Product Name: |
1,3-Dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1004727-40-5 |
Synonyms: |
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3-dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)- |
IUPAC Name: | 1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1,3-Dimethyl-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 1004727-40-5 ) is a useful research chemical. |
Molecular Weight: | 299.33 |
Molecular Formula: | C15H17N5O2 |
Canonical SMILES: | CC1=C(C(=NN1C)C)C2=NC3=C(C(=NN3C)C)C(=C2)C(=O)O |
InChI: | InChI=1S/C15H17N5O2/c1-7-12(9(3)19(4)17-7)11-6-10(15(21)22)13-8(2)18-20(5)14(13)16-11/h6H,1-5H3,(H,21,22) |
InChI Key: | XNMQOSKUHAYISZ-UHFFFAOYSA-N |
Boiling Point: | 497.5±45.0 °C (Predicted) |
Density: | 1.39±0.1 g/cm3 (Predicted) |
Complexity: | 448 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.1382248 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.1382248 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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