3-Bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic Acid tert-Butyl Ester - CAS 1196154-25-2
Catalog: |
BB070726 |
Product Name: |
3-Bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic Acid tert-Butyl Ester |
CAS: |
1196154-25-2 |
Synonyms: |
tert-Butyl 3-Bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
Molecular Weight: | 302.16 |
Molecular Formula: | C11H16N3O2Br |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)Br)C1 |
InChI: | InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15/h6H,4-5,7H2,1-3H3 |
InChI Key: | AHUXCBVCMJGTTD-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.04259 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.04259 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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