3-Amino-5-Boc-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole - CAS 398491-61-7
Catalog: |
BB024159 |
Product Name: |
3-Amino-5-Boc-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole |
CAS: |
398491-61-7 |
Synonyms: |
3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester; tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate |
IUPAC Name: | tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate |
Description: | 3-Amino-5-Boc-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole (CAS# 398491-61-7) is a useful research chemical. |
Molecular Weight: | 252.31 |
Molecular Formula: | C12H20N4O2 |
Canonical SMILES: | CC1(C2=C(CN1C(=O)OC(C)(C)C)C(=NN2)N)C |
InChI: | InChI=1S/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15) |
InChI Key: | XOQXOJPUZGHMLL-UHFFFAOYSA-N |
Boiling Point: | 420.6 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
MDL: | MFCD08275051 |
LogP: | 2.49680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021026109-A1 | Degraders of cyclin-dependent kinase 7 (cdk7) and uses thereof | 20190805 |
WO-2021016388-A1 | Inhibitors of cyclin-dependent kinase 7 and uses thereof | 20190723 |
EP-3236959-A2 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 20141223 |
JP-2018502098-A | Inhibitors of cyclin dependent kinase 7 (CDK7) | 20141223 |
US-2019055248-A1 | Inhibitors of cyclindependent kinase 7 (cdk7) | 20141223 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.15862589 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.15862589 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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