Name: Name:4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile
Brand: Angene
SKU: AG019XIS
Rating: 90 (10 reviews)

4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile

CAS No.:

1152574-17-8

Catalog Number:

AG019XIS

Molecular Formula:

C13H10F3N3

Molecular Weight:

265.2338

Catalog Number:

AG019XIS

Chemical Name:

4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile

CAS Number:

1152574-17-8

Molecular Formula:

C13H10F3N3

Molecular Weight:

265.2338

MDL Number:

MFCD12557247

IUPAC Name:

4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)benzonitrile

InChI:

InChI=1S/C13H10F3N3/c1-8-5-9(2)19(18-8)11-4-3-10(7-17)12(6-11)13(14,15)16/h3-6H,1-2H3

InChI Key:

DTBSPBRLAFAIOA-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1C(F)(F)F)n1nc(cc1C)C

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.239g/mol

Monoisotopic Mass:

265.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3