3-(5-methyl-pyrazol-1-yl)-propionic acid - CAS 180741-46-2
Catalog: |
BB013749 |
Product Name: |
3-(5-methyl-pyrazol-1-yl)-propionic acid |
CAS: |
180741-46-2 |
Synonyms: |
3-(5-methyl-1-pyrazolyl)propanoic acid; 3-(5-methylpyrazol-1-yl)propanoic acid |
IUPAC Name: | 3-(5-methylpyrazol-1-yl)propanoic acid |
Description: | 3-(5-methyl-pyrazol-1-yl)-propionic acid (CAS# 180741-46-2) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC1=CC=NN1CCC(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-6-2-4-8-9(6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11) |
InChI Key: | AVWPEIKOPXXROD-UHFFFAOYSA-N |
Boiling Point: | 317.5 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.22 g/cm3 |
Solubility: | 6.9 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00996156 |
LogP: | 0.66620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
US-10703733-B2 | MCL-1 inhibitors | 20180514 |
US-2019352271-A1 | Mcl-1 inhibitors | 20180514 |
WO-2019222112-A1 | Mcl-1 inhibitors | 20180514 |
AU-2019269391-A1 | MCL-1 inhibitors | 20180514 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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