5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid - CAS 840504-40-7
Catalog: |
BB037122 |
Product Name: |
5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
840504-40-7 |
Synonyms: |
5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid; 5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid |
Description: | 5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid (CAS# 840504-40-7 ) is a useful research chemical. |
Molecular Weight: | 156.141 |
Molecular Formula: | C6H8N2O3 |
Canonical SMILES: | COCC1=CC(=NN1)C(=O)O |
InChI: | InChI=1S/C6H8N2O3/c1-11-3-4-2-5(6(9)10)8-7-4/h2H,3H2,1H3,(H,7,8)(H,9,10) |
InChI Key: | UAJNGJPTGMEKLM-UHFFFAOYSA-N |
LogP: | 0.25430 |
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-2015045327-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis | 20130808 |
US-9133210-B2 | Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis | 20130808 |
WO-2015018823-A1 | Thieno[2,3-c]pyrans as cftr modulators | 20130808 |
AU-2010311299-A1 | Androgen receptor modulating compounds | 20091027 |
AU-2010311299-B2 | Androgen receptor modulating compounds | 20091027 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
Complexity: | 151 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Pyrazoles
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