4-Bromo-3-[(Boc(methyl)amino)methyl]-1-methylpyrazole-5-carbonitrile - CAS 1454848-24-8
Catalog: |
BB009962 |
Product Name: |
4-Bromo-3-[(Boc(methyl)amino)methyl]-1-methylpyrazole-5-carbonitrile |
CAS: |
1454848-24-8 |
Synonyms: |
N-[(4-bromo-5-cyano-1-methyl-3-pyrazolyl)methyl]-N-methylcarbamic acid tert-butyl ester; tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate |
IUPAC Name: | tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate |
Description: | 4-Bromo-3-[(Boc(methyl)amino)methyl]-1-methylpyrazole-5-carbonitrile (CAS# 1454848-24-8 ) is a useful research chemical. |
Molecular Weight: | 329.19 |
Molecular Formula: | C12H17BrN4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CC1=NN(C(=C1Br)C#N)C |
InChI: | InChI=1S/C12H17BrN4O2/c1-12(2,3)19-11(18)16(4)7-8-10(13)9(6-14)17(5)15-8/h7H2,1-5H3 |
InChI Key: | XXLRKGVZBYVBNQ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
CN-111362967-A | Benzoxadiazatetetradecene derivatives and use thereof | 20200428 |
CN-111362967-B | Benzoxadiazatetetradecene derivatives and use thereof | 20200428 |
WO-2020106685-A1 | Macrocyclic inhibitors of dyrk1a | 20181119 |
CN-113164475-A | Macrocyclic inhibitors of DYRK1A | 20181119 |
EP-3883573-A1 | Macrocyclic inhibitors of dyrk1a | 20181119 |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 328.05349 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 328.05349 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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