| CAS Number | 1251003-82-3 |
| Catalog Number | AG01DHRF |
| Chemical Name | tert-butyl 3-(hydroxymethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
| IUPAC Name | tert-butyl 3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
| InChI | InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)14-4-5-15-10(7-14)9(8-16)6-13-15/h6,16H,4-5,7-8H2,1-3H3 |
| InChI Key | SKWSMSXJMYMAMO-UHFFFAOYSA-N |
| MDL Number | MFCD18792782 |
| Molecular Formula | C12H19N3O3 |
| Molecular Weight | 253.2976 |
| SMILES | CC(OC(N1CC2N(N=CC=2CO)CC1)=O)(C)C |
| Synonyms | 1251003-82-3,
3-Hydroxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid tert-butyl ester,
MFCD18792782,
3-Hydroxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid t-butyl ester,
tert-butyl 3-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.302g/mol |
| Monoisotopic Mass | 253.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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