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

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

CAS No.:
1249995-53-6
Catalog Number:
AG01AFWM
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
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Product Description
Catalog Number:
AG01AFWM
Chemical Name:
3-(1-ethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1249995-53-6
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
MDL Number:
MFCD16109148
IUPAC Name:
3-(1-ethylpyrazol-4-yl)-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H12N4O2/c1-3-14-5-7(4-11-14)9-8(10(15)16)6-13(2)12-9/h4-6H,3H2,1-2H3,(H,15,16)
InChI Key:
PCZWTTTUVMUXPV-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)c1nn(cc1C(=O)O)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties