4-Amino-1-(1-Boc-4-piperidyl)pyrazole - CAS 1029413-55-5
Catalog: |
BB000971 |
Product Name: |
4-Amino-1-(1-Boc-4-piperidyl)pyrazole |
CAS: |
1029413-55-5 |
Synonyms: |
4-(4-amino-1-pyrazolyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate |
Description: | 4-Amino-1-(1-Boc-4-piperidyl)pyrazole (CAS# 1029413-55-5) is used as a reactant in the preparation of pyrazolyl-substituted diaminopyrimidines as dual inhibitors of KDR and Aurora B kinases. |
Molecular Weight: | 266.34 |
Molecular Formula: | C13H22N4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)N |
InChI: | InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7,14H2,1-3H3 |
InChI Key: | TVJWTRPGFVNAJI-UHFFFAOYSA-N |
MDL: | MFCD10687120 |
LogP: | 2.55640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021069721-A1 | Atf6 modulators and uses thereof | 20191009 |
WO-2021003314-A1 | Heterocyclic compounds as kinase inhibitors | 20190702 |
US-2020354346-A1 | Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof | 20190510 |
WO-2020210630-A1 | Tricyclic degraders of ikaros and aiolos | 20190412 |
WO-2020187292-A1 | 2-substituted pyrazoleamino-4-substituted amino-5-pyrimidine formamide compound, composition and use thereof | 20190319 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.17427596 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.17427596 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
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