5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic Acid - CAS 90349-23-8
Catalog: |
BB039818 |
Product Name: |
5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic Acid |
CAS: |
90349-23-8 |
Synonyms: |
5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid; 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
IUPAC Name: | 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Description: | 5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic Acid (CAS# 90349-23-8) is used as a reactant in the synthetic preparation of noninhibitory small molecule chaperones of glucocerebrosidase. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CC1=CC(=NC2=C(C=NN12)C(=O)O)C |
InChI: | InChI=1S/C9H9N3O2/c1-5-3-6(2)12-8(11-5)7(4-10-12)9(13)14/h3-4H,1-2H3,(H,13,14) |
InChI Key: | UWWGTDIBDPROEH-UHFFFAOYSA-N |
Solubility: | >28.7 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD01051014 |
LogP: | 1.04430 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3728265-A1 | Crystalline substituted cyclohexyl pyrazolo[1,5-a]pyrimidinyl carboxamide compound and therapeutic uses thereof | 20171221 |
US-2020339587-A1 | Crystalline substituted cyclohexyl pyrazolo[1,5-a]pyrimidinyl carboxamide compound and therapeutic uses thereof | 20171221 |
JP-2021506920-A | Crystalline Substituted Cyclohexylpyrazolo [1,5-a] pyrimidinylcarboxamide compounds and their therapeutic use | 20171221 |
WO-2018078009-A1 | Amido-substituted cyclohexane derivatives | 20161029 |
EP-3452045-A1 | Methods of treatment and combination therapies using gcase activator heterobicyclic and related compounds | 20160504 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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