3,5-Dimethyl-1H-pyrazole-4-carbaldehyde - CAS 201008-71-1
Catalog: |
BB015658 |
Product Name: |
3,5-Dimethyl-1H-pyrazole-4-carbaldehyde |
CAS: |
201008-71-1 |
Synonyms: |
3,5-dimethyl-1H-pyrazole-4-carbaldehyde |
IUPAC Name: | 3,5-dimethyl-1H-pyrazole-4-carbaldehyde |
Description: | Used in the preparation of piperazinyl benzimidazoles as antagonists of gonadotropin-releasing hormone receptor. |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | CC1=C(C(=NN1)C)C=O |
InChI: | InChI=1S/C6H8N2O/c1-4-6(3-9)5(2)8-7-4/h3H,1-2H3,(H,7,8) |
InChI Key: | FQBOXJRHEZGATR-UHFFFAOYSA-N |
Boiling Point: | 299.4 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
Appearance: | Colourless oil |
MDL: | MFCD03194451 |
LogP: | 0.83900 |
Publication Number | Title | Priority Date |
CN-110734401-A | Process for preparing N unsubstituted-4-formylpyrazoles | 20191010 |
WO-2020243457-A1 | Compounds and therapeutic uses thereof | 20190529 |
US-10851073-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2020299246-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
WO-2020186199-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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