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

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

CAS No.:
911468-31-0
Catalog Number:
AG01BTPD
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
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Product Description
Catalog Number:
AG01BTPD
Chemical Name:
1-methyl-3-(pyridin-4-yl)-1H-pyrazole-5-carboxylic acid
CAS Number:
911468-31-0
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD17193927
IUPAC Name:
2-methyl-5-pyridin-4-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H9N3O2/c1-13-9(10(14)15)6-8(12-13)7-2-4-11-5-3-7/h2-6H,1H3,(H,14,15)
InChI Key:
AIAACORTNIPHEO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1C)c1ccncc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties