Name: Name:1-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
Brand: Angene
SKU: AG019QAE
Rating: 90 (10 reviews)

1-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

CAS No.:

1152510-00-3

Catalog Number:

AG019QAE

Molecular Formula:

C14H16N2O

Molecular Weight:

228.2896

Catalog Number:

AG019QAE

Chemical Name:

1-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

CAS Number:

1152510-00-3

Molecular Formula:

C14H16N2O

Molecular Weight:

228.2896

MDL Number:

MFCD11132837

IUPAC Name:

1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone

InChI:

InChI=1S/C14H16N2O/c1-9-5-6-10(2)14(7-9)16-11(3)13(8-15-16)12(4)17/h5-8H,1-4H3

InChI Key:

SWXPVGQCJNLZKO-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)n1ncc(c1C)C(=O)C)C

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.295g/mol

Monoisotopic Mass:

228.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7