Name: Name:2,2,2-trifluoroethyl N-[3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl]carbamate
Brand: Angene
SKU: AG01DUBU
Rating: 90 (10 reviews)

2,2,2-trifluoroethyl N-[3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl]carbamate

CAS No.:

2126177-80-6

Catalog Number:

AG01DUBU

Molecular Formula:

C12H11F3N4O2

Molecular Weight:

300.2365

Catalog Number:

AG01DUBU

Chemical Name:

2,2,2-trifluoroethyl N-[3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl]carbamate

CAS Number:

2126177-80-6

Molecular Formula:

C12H11F3N4O2

Molecular Weight:

300.2365

MDL Number:

MFCD31381127

IUPAC Name:

2,2,2-trifluoroethyl N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamate

InChI:

InChI=1S/C12H11F3N4O2/c1-8-6-10(17-11(20)21-7-12(13,14)15)19(18-8)9-4-2-3-5-16-9/h2-6H,7H2,1H3,(H,17,20)

InChI Key:

JMBJUEMANOUJTQ-UHFFFAOYSA-N

SMILES:

O=C(Nc1cc(nn1c1ccccn1)C)OCC(F)(F)F

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.241g/mol

Monoisotopic Mass:

300.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6