Home Carboxys 3-(Hydroxymethyl)-1H-pyrazole-5-carboxylic acid

3-(Hydroxymethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
1401555-38-1
Catalog Number:
AG00HVRF
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
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Product Description
Catalog Number:
AG00HVRF
Chemical Name:
3-(Hydroxymethyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
1401555-38-1
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD16619746
IUPAC Name:
5-(hydroxymethyl)-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H6N2O3/c8-2-3-1-4(5(9)10)7-6-3/h1,8H,2H2,(H,6,7)(H,9,10)
InChI Key:
OKEYZZIQFMYAIA-UHFFFAOYSA-N
SMILES:
OCc1n[nH]c(c1)C(=O)O
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties