| CAS Number | 1445322-58-6 |
| Catalog Number | AG00AQJI(AGN-PC-0WA7K4) |
| Chemical Name | 3-(Cbz-Amino)-1,5-dimethylpyrazole |
| IUPAC Name | benzyl N-(1,5-dimethylpyrazol-3-yl)carbamate |
| InChI | InChI=1S/C13H15N3O2/c1-10-8-12(15-16(10)2)14-13(17)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,17) |
| InChI Key | SBLMQFZKHYPZIC-UHFFFAOYSA-N |
| MDL Number | MFCD25121755 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | O=C(Nc1nn(c(c1)C)C)OCc1ccccc1 |
| Synonyms | 3-(CBZ-AMINO)-1,5-DIMETHYLPYRAZOLE,
1445322-58-6,
KM3856,
ZINC95495584,
V3335,
C13H15N3O2,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number