| CAS Number | 1935413-66-3 |
| Catalog Number | AG01C4TH |
| Chemical Name | tert-Butyl N-[(3-amino-1,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(3-amino-1,5-dimethylpyrazol-4-yl)methyl]carbamate |
| InChI | InChI=1S/C11H20N4O2/c1-7-8(9(12)14-15(7)5)6-13-10(16)17-11(2,3)4/h6H2,1-5H3,(H2,12,14)(H,13,16) |
| InChI Key | VMXYFUYIQMWQCD-UHFFFAOYSA-N |
| MDL Number | MFCD29991333 |
| Molecular Formula | C11H20N4O2 |
| Molecular Weight | 240.3021 |
| SMILES | CC1N(C)N=C(N)C=1CNC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-[(3-amino-1,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamate,
1935413-66-3,
AKOS033931987,
ZINC306872614,
Z2507870685,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.307g/mol |
| Monoisotopic Mass | 240.159g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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