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

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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

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

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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

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