1-Methylpyrazole-3-carboxylic Acid - CAS 25016-20-0

Catalog:	BB018702
Product Name:	1-Methylpyrazole-3-carboxylic Acid
CAS:	25016-20-0
Synonyms:	1-methyl-3-pyrazolecarboxylic acid; 1-methylpyrazole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methylpyrazole-3-carboxylic acid
Description:	1-Methylpyrazole-3-carboxylic Acid (CAS# 25016-20-0) is a useful research chemical.
Molecular Weight:	126.11
Molecular Formula:	C5H6N2O2
Canonical SMILES:	CN1C=CC(=N1)C(=O)O
InChI:	InChI=1S/C5H6N2O2/c1-7-3-2-4(6-7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key:	YBFIKNNFQIBIQZ-UHFFFAOYSA-N
Boiling Point:	306.9 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD00464254
LogP:	0.11830

Publication Number	Title	Priority Date
WO-2015197188-A1	Pyrazolyl-based carboxamides as crac inhibitors	20140624
WO-2015181063-A1	Substituted tetrahydropyridothienopyrimidines	20140526
WO-2015124576-A1	2-amino-3, 5, 5-trifluoro-3, 4, 5, 6-tetrahydropyridines as bace1 inhibitors for treatment of alzheimer's disease	20140219
US-2015166505-A1	Pyridinyl-substituted pyrazolyl carboxamides	20131218
WO-2015090579-A1	Pyrazolyl-based carboxamides iv	20131218

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.042927438
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1