tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate - CAS 1280210-79-8
Catalog: |
BB070837 |
Product Name: |
tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate |
CAS: |
1280210-79-8 |
Synonyms: |
tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate; tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate; 4,6-Dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester; 5-BOC-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYRAZOLE; 2,6-Dihydro-4H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester; Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 4,6-dihydro-, 1,1-dimethylethyl ester; tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate |
IUPAC Name: | tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate |
Molecular Weight: | 209.24 |
Molecular Formula: | C10H15N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2 |
InChI: | InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13/h4H,5-6H2,1-3H3,(H,11,12) |
InChI Key: | IBUNCTVDGYIKAP-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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.11642673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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