Name: Name:1-(5-aminopyridin-2-yl)-3-(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
Brand: Angene
SKU: AG01C02S
Rating: 90 (10 reviews)

1-(5-aminopyridin-2-yl)-3-(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-one

CAS No.:

1340218-96-3

Catalog Number:

AG01C02S

Molecular Formula:

C9H8F2N4O

Molecular Weight:

226.1828

Catalog Number:

AG01C02S

Chemical Name:

1-(5-aminopyridin-2-yl)-3-(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-one

CAS Number:

1340218-96-3

Molecular Formula:

C9H8F2N4O

Molecular Weight:

226.1828

MDL Number:

MFCD17240836

IUPAC Name:

2-(5-aminopyridin-2-yl)-5-(difluoromethyl)-4H-pyrazol-3-one

InChI:

InChI=1S/C9H8F2N4O/c10-9(11)6-3-8(16)15(14-6)7-2-1-5(12)4-13-7/h1-2,4,9H,3,12H2

InChI Key:

DBGQTMXKFQAOEA-UHFFFAOYSA-N

SMILES:

Nc1ccc(nc1)N1N=C(CC1=O)C(F)F

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.187g/mol

Monoisotopic Mass:

226.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7