Home Carboxys 1-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

1-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:
1206153-61-8
Catalog Number:
AG019X5O
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
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Product Description
Catalog Number:
AG019X5O
Chemical Name:
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CAS Number:
1206153-61-8
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
MDL Number:
MFCD13196008
IUPAC Name:
2-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H14N4O4/c1-6-5-7(2)14-12(13-6)16-10(18)8(3-4-17)9(15-16)11(19)20/h5,15,17H,3-4H2,1-2H3,(H,19,20)
InChI Key:
ONRRAUZLIKBFLA-UHFFFAOYSA-N
SMILES:
OCCc1c([nH]n(c1=O)c1nc(C)cc(n1)C)C(=O)O
Properties
Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.102g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
278.268g/mol
Monoisotopic Mass:
278.102g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties