Name: Name:1-(3,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01A4UR
Rating: 90 (10 reviews)

1-(3,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:

1175825-50-9

Catalog Number:

AG01A4UR

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

Catalog Number:

AG01A4UR

Chemical Name:

1-(3,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS Number:

1175825-50-9

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD09901159

IUPAC Name:

1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H14N2O2/c1-8-4-9(2)6-11(5-8)15-10(3)7-12(14-15)13(16)17/h4-7H,1-3H3,(H,16,17)

InChI Key:

JIPYFKORUPMWKV-UHFFFAOYSA-N

SMILES:

Cc1cc(C)cc(c1)n1nc(cc1C)C(=O)O

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.267g/mol

Monoisotopic Mass:

230.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9