Ethyl 5-Cyclopropyl-1H-pyrazole-3-carboxylate - CAS 133261-06-0
Catalog: |
BB007716 |
Product Name: |
Ethyl 5-Cyclopropyl-1H-pyrazole-3-carboxylate |
CAS: |
133261-06-0 |
Synonyms: |
5-cyclopropyl-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate |
Description: | Ethyl 5-Cyclopropyl-1H-pyrazole-3-carboxylate (CAS# 133261-06-0) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)C2CC2 |
InChI: | InChI=1S/C9H12N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11) |
InChI Key: | KGGGSOGFJKVURE-UHFFFAOYSA-N |
LogP: | 1.46380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032935-A1 | Enzyme inhibitors | 20190821 |
WO-2021032938-A1 | Enzyme inhibitors | 20190821 |
EP-3400223-A1 | Microbiocidal oxadiazole derivatives | 20160108 |
WO-2017118689-A1 | Microbiocidal oxadiazole derivatives | 20160108 |
AU-2011313150-A1 | 1,4-oxazepane derivatives | 20101007 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.089877630 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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