Home Carboxys 5-Methyl-1H-pyrazole-3-carboxylic acid

5-Methyl-1H-pyrazole-3-carboxylic acid

CAS No.:
696-22-0
Catalog Number:
AG0036RN
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
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Product Description
Catalog Number:
AG0036RN
Chemical Name:
5-Methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
696-22-0
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00462235
IUPAC Name:
5-methyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChI Key:
WSMQKESQZFQMFW-UHFFFAOYSA-N
SMILES:
Cc1cc(n[nH]1)C(=O)O
UNII:
U71778T48T
NSC Number:
1408
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
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Alteration of kynurenic acid concentration in rat plasma following optically pure kynurenine administration: a comparative study between enantiomers. Chirality 20090401
Diaqua-(5-methyl-1H-pyrazole-3-carboxyl-ato)(4-nitro-benzoato)copper(II). Acta crystallographica. Section E, Structure reports online 20090201
Does nicotinic acid (niacin) lower blood pressure? International journal of clinical practice 20090101
In vitro and in vivo pharmacological profile of AS057278, a selective d-amino acid oxidase inhibitor with potential anti-psychotic properties. European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology 20080301
Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20071015
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Nicotinic acid receptor agonists differentially activate downstream effectors. The Journal of biological chemistry 20070622
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