1-Boc-pyrazole - CAS 219580-32-2
Catalog: |
BB017223 |
Product Name: |
1-Boc-pyrazole |
CAS: |
219580-32-2 |
Synonyms: |
tert-butyl pyrazole-1-carboxylate |
IUPAC Name: | tert-butyl pyrazole-1-carboxylate |
Description: | 1-Boc-pyrazole (CAS# 219580-32-2) is a useful research chemical. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC=N1 |
InChI: | InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h4-6H,1-3H3 |
InChI Key: | BSJFXAFLSWDUPK-UHFFFAOYSA-N |
Boiling Point: | 161 °C / 760 mmHg |
Density: | 1.036 g/mL at 25°C |
MDL: | MFCD00800729 |
LogP: | 1.66630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111943889-A | Bis-aryl amine compound and preparation method and application thereof | 20200724 |
WO-2021164746-A1 | Substituted aryl compound | 20200219 |
CN-113121443-A | Beta-amino acid derivatives, kinase inhibitors and pharmaceutical compositions containing the same and use thereof | 20191231 |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
WO-2021004482-A1 | Substituted pyrazoloquinazolone compound and application thereof | 20190710 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.089877630 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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