3,5-Dimethyl-1H-pyrazole-4-acetic Acid - CAS 32701-75-0

Catalog:	BB021369
Product Name:	3,5-Dimethyl-1H-pyrazole-4-acetic Acid
CAS:	32701-75-0
Synonyms:	2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid; 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
Description:	3,5-Dimethyl-1H-pyrazole-4-acetic Acid (CAS# 32701-75-0) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CC1=C(C(=NN1)C)CC(=O)O
InChI:	InChI=1S/C7H10N2O2/c1-4-6(3-7(10)11)5(2)9-8-4/h3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:	HHILOQLQBYEUTP-UHFFFAOYSA-N
Boiling Point:	382.9 °C at 760 mmHg
MDL:	MFCD05677521
LogP:	0.65360

Publication Number	Title	Priority Date
WO-2013083991-A1	Novel compounds and their use in therapy	20111206
EA-022559-B1	PYRAZOLES AS AN ANTAGONISTS CRTH2	20110124
TW-201526891-A	Pyrazole compounds as CRTH2 antagonists	20101201
WO-2012069175-A1	New pyrazole derivatives having crth2 antagonistic behaviour	20101125
EA-022280-B1	Pyrazole compounds as crth2 antagonists	20100127

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
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[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
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[832741-29-4]
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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:	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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5