Name: Name:1-(3-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01A5H2
Rating: 90 (10 reviews)

1-(3-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:

1274470-88-0

Catalog Number:

AG01A5H2

Molecular Formula:

C12H9N3O2

Molecular Weight:

227.2188

Catalog Number:

AG01A5H2

Chemical Name:

1-(3-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS Number:

1274470-88-0

Molecular Formula:

C12H9N3O2

Molecular Weight:

227.2188

MDL Number:

MFCD17293356

IUPAC Name:

1-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H9N3O2/c1-8-5-11(12(16)17)14-15(8)10-4-2-3-9(6-10)7-13/h2-6H,1H3,(H,16,17)

InChI Key:

RZIKVFGCJNRAHX-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)n1nc(cc1C)C(=O)O

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.223g/mol

Monoisotopic Mass:

227.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9