Home Carboxys 1-methyl-3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid

1-methyl-3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1700336-62-4
Catalog Number:
AG01DYUG
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
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Product Description
Catalog Number:
AG01DYUG
Chemical Name:
1-methyl-3-(1-methyl-1H-pyrazol-5-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1700336-62-4
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
MDL Number:
MFCD30242058
IUPAC Name:
1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H10N4O2/c1-12-5-6(9(14)15)8(11-12)7-3-4-10-13(7)2/h3-5H,1-2H3,(H,14,15)
InChI Key:
LNNUNHURCXUPDP-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)c1ccnn1C)C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties