Name: Name:4-(4-acetyl-5-methyl-1H-pyrazol-1-yl)benzonitrile
Brand: Angene
SKU: AG019QZH
Rating: 90 (10 reviews)

4-(4-acetyl-5-methyl-1H-pyrazol-1-yl)benzonitrile

CAS No.:

671181-66-1

Catalog Number:

AG019QZH

Molecular Formula:

C13H11N3O

Molecular Weight:

225.2459

Catalog Number:

AG019QZH

Chemical Name:

4-(4-acetyl-5-methyl-1H-pyrazol-1-yl)benzonitrile

CAS Number:

671181-66-1

Molecular Formula:

C13H11N3O

Molecular Weight:

225.2459

MDL Number:

MFCD00103452

IUPAC Name:

4-(4-acetyl-5-methylpyrazol-1-yl)benzonitrile

InChI:

InChI=1S/C13H11N3O/c1-9-13(10(2)17)8-15-16(9)12-5-3-11(7-14)4-6-12/h3-6,8H,1-2H3

InChI Key:

BHTAKJHFFQTXPZ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1ncc(c1C)C(=O)C

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.251g/mol

Monoisotopic Mass:

225.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7