| CAS Number | 1860028-24-5 |
| Catalog Number | AG00IKS7(AGN-PC-0WNH3D) |
| Chemical Name | tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-4-5-10(15)9-7-13-14-8-9/h7-8,10H,4-6H2,1-3H3,(H,13,14) |
| InChI Key | LBNUWTQWUYDRNB-UHFFFAOYSA-N |
| MDL Number | MFCD30146431 |
| Molecular Formula | C12H19N3O2 |
| Molecular Weight | 237.2982 |
| SMILES | O=C(N1C(C2=CNN=C2)CCC1)OC(C)(C)C |
| Synonyms | tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate,
1860028-24-5,
MFCD30146431,
AKOS030627463,
KS-0000086E,
1-Boc-2-(1H-pyrazol-4-yl)pyrrolidine,
AS-53322,
CS-0048468,
t-Butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.303g/mol |
| Monoisotopic Mass | 237.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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