1-Methylpyrazole-5-boronic Acid - CAS 720702-41-0
Catalog: |
BB034530 |
Product Name: |
1-Methylpyrazole-5-boronic Acid |
CAS: |
720702-41-0 |
Synonyms: |
(2-methyl-3-pyrazolyl)boronic acid; (2-methylpyrazol-3-yl)boronic acid |
IUPAC Name: | (2-methylpyrazol-3-yl)boronic acid |
Description: | 1-Methyl-1H-pyrazole-5-boronic Acid acts as a reagent for the design, synthesis and evaluation of novel porcupine inhibitors featuring a fused 3-ring system based on 'reversed' amide scaffold. |
Molecular Weight: | 125.92 |
Molecular Formula: | C4H7N2O2B |
Canonical SMILES: | B(C1=CC=NN1C)(O)O |
InChI: | InChI=1S/C4H7BN2O2/c1-7-4(5(8)9)2-3-6-7/h2-3,8-9H,1H3 |
InChI Key: | MGNBKNBEZGLHNF-UHFFFAOYSA-N |
Boiling Point: | 323 ℃ at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD11053031 |
LogP: | -1.90010 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207172-A1 | Compounds and methods for targeted degradation of kras | 20200406 |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
US-2021205311-A1 | Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors | 20200103 |
US-2021230294-A1 | Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy | 20200103 |
WO-2021138498-A1 | Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy | 20200103 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.0600576 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.0600576 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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