1-Isopropylpyrazole-4-boronic Acid Pinacol Ester - CAS 879487-10-2
Catalog: |
BB038692 |
Product Name: |
1-Isopropylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
879487-10-2 |
Synonyms: |
1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Isopropylpyrazole-4-boronic Acid Pinacol Ester (CAS# 879487-10-2) is a useful research chemical. |
Molecular Weight: | 236.12 |
Molecular Formula: | C12H21N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)C |
InChI: | InChI=1S/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3 |
InChI Key: | OGYYMVGDKVJYSU-UHFFFAOYSA-N |
Melting Point: | 36-44 °C |
Flash Point: | No data available |
Purity: | 97 % |
Storage: | 2-8 °C |
MDL: | MFCD11867881 |
LogP: | 1.76320 |
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-2021207186-A1 | Cd38 inhibitors | 20200407 |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021138419-A1 | Compounds and compositions for treating conditions associated with sting activity | 20191231 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1696081 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1696081 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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