Name: Name:1-[1-(3,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one
Brand: Angene
SKU: AG01EJZX
Rating: 90 (10 reviews)

1-[1-(3,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one

CAS No.:

1561292-93-0

Catalog Number:

AG01EJZX

Molecular Formula:

C13H17F3N2O

Molecular Weight:

274.2821

Catalog Number:

AG01EJZX

Chemical Name:

1-[1-(3,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]-2,2,2-trifluoroethan-1-one

CAS Number:

1561292-93-0

Molecular Formula:

C13H17F3N2O

Molecular Weight:

274.2821

MDL Number:

MFCD21432403

IUPAC Name:

1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]-2,2,2-trifluoroethanone

InChI:

InChI=1S/C13H17F3N2O/c1-8-3-4-11(5-9(8)2)18-7-10(6-17-18)12(19)13(14,15)16/h6-9,11H,3-5H2,1-2H3

InChI Key:

XIXBRAQXQGCRHW-UHFFFAOYSA-N

SMILES:

CC1CCC(CC1C)n1ncc(c1)C(=O)C(F)(F)F

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.129g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.287g/mol

Monoisotopic Mass:

274.129g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4