Name: Name:3-methyl-1-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-5-one
Brand: Angene
SKU: AG01A5SH
Rating: 90 (10 reviews)

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

CAS No.:

111988-01-3

Catalog Number:

AG01A5SH

Molecular Formula:

C9H9N3O

Molecular Weight:

175.1873

Catalog Number:

AG01A5SH

Chemical Name:

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

CAS Number:

111988-01-3

Molecular Formula:

C9H9N3O

Molecular Weight:

175.1873

MDL Number:

MFCD12134544

IUPAC Name:

5-methyl-2-pyridin-4-yl-4H-pyrazol-3-one

InChI:

InChI=1S/C9H9N3O/c1-7-6-9(13)12(11-7)8-2-4-10-5-3-8/h2-5H,6H2,1H3

InChI Key:

YSMLZDQGVXJJSJ-UHFFFAOYSA-N

SMILES:

O=C1CC(=NN1c1ccncc1)C

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.191g/mol

Monoisotopic Mass:

175.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2