5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic Acid - CAS 1209492-73-8
Catalog: |
BB070908 |
Product Name: |
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic Acid |
CAS: |
1209492-73-8 |
Synonyms: |
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid; 5-N-Boc-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid; 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid; 5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
IUPAC Name: | 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
Molecular Weight: | 267.28 |
Molecular Formula: | C12H17N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN2C(=CC(=N2)C(=O)O)C1 |
InChI: | InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-9(13-15)10(16)17/h6H,4-5,7H2,1-3H3,(H,16,17) |
InChI Key: | QIUBDRRELVWSKR-UHFFFAOYSA-N |
References: | Akahoshi, I., et al. PCT Int. Appl., (2020). |
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: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.12190603 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.12190603 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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