5-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid - CAS 113100-65-5
Catalog: |
BB003098 |
Product Name: |
5-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid |
CAS: |
113100-65-5 |
Synonyms: |
5-methoxy-1-methyl-4-pyrazolecarboxylic acid; 5-methoxy-1-methylpyrazole-4-carboxylic acid |
IUPAC Name: | 5-methoxy-1-methylpyrazole-4-carboxylic acid |
Description: | 5-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid (CAS# 113100-65-5) is a useful research chemical. |
Molecular Weight: | 156.141 |
Molecular Formula: | C6H8N2O3 |
Canonical SMILES: | CN1C(=C(C=N1)C(=O)O)OC |
InChI: | InChI=1S/C6H8N2O3/c1-8-5(11-2)4(3-7-8)6(9)10/h3H,1-2H3,(H,9,10) |
InChI Key: | KSQUPSFMOIOYDF-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 0.00000 |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
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 |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856179-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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