5,7-Dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic Acid - CAS 300691-07-0
Catalog: |
BB020433 |
Product Name: |
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic Acid |
CAS: |
300691-07-0 |
Synonyms: |
5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid; 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
IUPAC Name: | 5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 5,7-Dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic Acid (CAS# 300691-07-0) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CC1=CC(=NC2=CC(=NN12)C(=O)O)C |
InChI: | InChI=1S/C9H9N3O2/c1-5-3-6(2)12-8(10-5)4-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14) |
InChI Key: | NJJMZMNKPOVXQM-UHFFFAOYSA-N |
Density: | 1.43 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00461394 |
LogP: | 1.04430 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2013157996-A1 | Trpm8 antagonists and their use in treatments | 20110624 |
US-2014171406-A1 | Trpm8 antagonists and their use in treatments | 20110624 |
US-2014171639-A1 | Trpm8 antagonists and their use in treatments | 20110624 |
US-8710043-B2 | TRPM8 antagonists and their use in treatments | 20110624 |
US-9096527-B2 | TRPM8 antagonists and their use in treatments | 20110624 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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