Home Carboxys 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylic acid

5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1342150-56-4
Catalog Number:
AG01A2K7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG01A2K7
Chemical Name:
5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1342150-56-4
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD18879234
IUPAC Name:
5-amino-1,3-dimethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H9N3O2/c1-3-4(6(10)11)5(7)9(2)8-3/h7H2,1-2H3,(H,10,11)
InChI Key:
PSOYXTYCCIWCNE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nn(c1N)C
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties