3-(Boc-amino)pyrazole - CAS 952674-76-9
Catalog: |
BB041666 |
Product Name: |
3-(Boc-amino)pyrazole |
CAS: |
952674-76-9 |
Synonyms: |
N-(1H-pyrazol-5-yl)carbamic acid tert-butyl ester; tert-butyl N-(1H-pyrazol-5-yl)carbamate |
IUPAC Name: | tert-butyl N-(1H-pyrazol-5-yl)carbamate |
Description: | 3-(Boc-amino)pyrazole (CAS# 952674-76-9) is a useful research chemical. |
Molecular Weight: | 183.21 |
Molecular Formula: | C8H13N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=NN1 |
InChI: | InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)10-6-4-5-9-11-6/h4-5H,1-3H3,(H2,9,10,11,12) |
InChI Key: | RZIAELOQCATLDL-UHFFFAOYSA-N |
LogP: | 1.82970 |
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 |
CN-109422755-A | A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application | 20170901 |
WO-2016202758-A1 | Substituted 2-(1h-pyrazol-1-yl)-1h-benzimidazole compounds | 20150618 |
WO-2016202759-A1 | Cytotoxic substituted 2-(1 h-pyrazol-1 -yl)-1,3-benzothiazole compounds for the treatment of cancer | 20150618 |
US-9879029-B2 | ERK inhibitors | 20141222 |
US-2011086853-A1 | Therapeutic Compounds | 20091008 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.100776666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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