Name: Name:2-[5-amino-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Brand: Angene
SKU: AG01BVET
Rating: 90 (10 reviews)

2-[5-amino-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

CAS No.:

2044713-72-4

Catalog Number:

AG01BVET

Molecular Formula:

C9H11F6N3O

Molecular Weight:

291.1936

Catalog Number:

AG01BVET

Chemical Name:

2-[5-amino-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

CAS Number:

2044713-72-4

Molecular Formula:

C9H11F6N3O

Molecular Weight:

291.1936

MDL Number:

MFCD30476367

IUPAC Name:

2-(5-amino-1-propan-2-ylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

InChI:

InChI=1S/C9H11F6N3O/c1-4(2)18-6(16)5(3-17-18)7(19,8(10,11)12)9(13,14)15/h3-4,19H,16H2,1-2H3

InChI Key:

ODFBBILBFJPTNI-UHFFFAOYSA-N

SMILES:

CC(n1ncc(c1N)C(C(F)(F)F)(C(F)(F)F)O)C

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.197g/mol

Monoisotopic Mass:

291.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3