5-Ethyl-1-methylpyrazole-4-carboxylic Acid - CAS 1007541-96-9
Catalog: |
BB000323 |
Product Name: |
5-Ethyl-1-methylpyrazole-4-carboxylic Acid |
CAS: |
1007541-96-9 |
Synonyms: |
5-ethyl-1-methyl-4-pyrazolecarboxylic acid; 5-ethyl-1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 5-ethyl-1-methylpyrazole-4-carboxylic acid |
Description: | 5-Ethyl-1-methylpyrazole-4-carboxylic Acid (CAS# 1007541-96-9) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCC1=C(C=NN1C)C(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-8-9(6)2/h4H,3H2,1-2H3,(H,10,11) |
InChI Key: | ODCIFLVGQRRDGE-UHFFFAOYSA-N |
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 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065614-A1 | Monoacylglycerol lipase modulators | 20180928 |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856179-A1 | Monoacylglycerol lipase modulators | 20180928 |
KR-20210069079-A | monoacylglycerol lipase modulator | 20180928 |
Complexity: | 161 |
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: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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