Name: Name:1-(5-chloropyridin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
Brand: Angene
SKU: AG01BS65
Rating: 90 (10 reviews)

1-(5-chloropyridin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

CAS No.:

111988-00-2

Catalog Number:

AG01BS65

Molecular Formula:

C9H8ClN3O

Molecular Weight:

209.6323

Catalog Number:

AG01BS65

Chemical Name:

1-(5-chloropyridin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

CAS Number:

111988-00-2

Molecular Formula:

C9H8ClN3O

Molecular Weight:

209.6323

MDL Number:

MFCD20226245

IUPAC Name:

2-(5-chloropyridin-2-yl)-5-methyl-4H-pyrazol-3-one

InChI:

InChI=1S/C9H8ClN3O/c1-6-4-9(14)13(12-6)8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3

InChI Key:

HJBQMCWDZRCSFI-UHFFFAOYSA-N

SMILES:

Clc1ccc(nc1)N1N=C(CC1=O)C

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.633g/mol

Monoisotopic Mass:

209.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2