Ethyl 5-(2-Thienyl)pyrazole-3-carboxylate - CAS 121195-03-7
Catalog: |
BB005107 |
Product Name: |
Ethyl 5-(2-Thienyl)pyrazole-3-carboxylate |
CAS: |
121195-03-7 |
Synonyms: |
5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate |
Description: | Ethyl 5-(2-Thienyl)pyrazole-3-carboxylate (CAS# 121195-03-7) is a useful research chemical. |
Molecular Weight: | 222.26 |
Molecular Formula: | C10H10N2O2S |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)C2=CC=CS2 |
InChI: | InChI=1S/C10H10N2O2S/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12) |
InChI Key: | NTCRDZSJYGZRIE-UHFFFAOYSA-N |
Boiling Point: | 430 °C at 760 mmHg |
Density: | 1.306 g/cm3 |
Solubility: | 17 [ug/mL] (The mean of the results at pH 7.4) |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD07772880 |
LogP: | 2.31490 |
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 |
AU-2008253118-A1 | Diacylglycerol acyltransferase inhibitors | 20070522 |
AU-2008253118-B2 | Diacylglycerol acyltransferase inhibitors | 20070522 |
CA-2686951-A1 | Diacylglycerol acyltransferase inhibitors | 20070522 |
EP-2155687-A1 | Diacylglycerol acyltransferase inhibitors | 20070522 |
US-2009093497-A1 | Diacylglycerol Acyltransferase Inhibitors | 20070522 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04629874 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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