3-tert-Butyl-1-methylpyrazole-5-carboxylic Acid - CAS 175277-11-9
Catalog: |
BB013109 |
Product Name: |
3-tert-Butyl-1-methylpyrazole-5-carboxylic Acid |
CAS: |
175277-11-9 |
Synonyms: |
5-tert-butyl-2-methyl-3-pyrazolecarboxylic acid; 5-tert-butyl-2-methylpyrazole-3-carboxylic acid |
IUPAC Name: | 5-tert-butyl-2-methylpyrazole-3-carboxylic acid |
Description: | 3-tert-Butyl-1-methylpyrazole-5-carboxylic Acid (CAS# 175277-11-9) is a useful research chemical. |
Molecular Weight: | 182.22 |
Molecular Formula: | C9H14N2O2 |
Canonical SMILES: | CC(C)(C)C1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C9H14N2O2/c1-9(2,3)7-5-6(8(12)13)11(4)10-7/h5H,1-4H3,(H,12,13) |
InChI Key: | SFSXXMXHJOSBAZ-UHFFFAOYSA-N |
Boiling Point: | 317.7 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
Solubility: | >27.3 [ug/mL] (The mean of the results at pH 7.4) |
LogP: | 1.41580 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
US-10344026-B2 | Compositions and methods of targeting mutant K-ras | 20170118 |
US-2018201610-A1 | Compositions and methods of targeting mutant k-ras | 20170118 |
AU-2016366977-A1 | Cyclic phosphates and cyclic phosphoramidates for the treatment of neurologic disorders | 20151208 |
EP-3386995-A1 | Cyclic phosphates and cyclic phosphoramidates for the treatment of neurologic disorders | 20151208 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS