200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1221723-78-9
1221723-78-9 | 1-methyl-3-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS No: 1221723-78-9 Catalog No: AG019XAH MDL No:MFCD12912875
Product Description
Catalog Number:
AG019XAH
Chemical Name:
1-methyl-3-(pyridin-4-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
1221723-78-9
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD12912875
IUPAC Name:
2-methyl-5-pyridin-4-yl-4H-pyrazol-3-one
InChI:
InChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-2-4-10-5-3-7/h2-5H,6H2,1H3
InChI Key:
PRQFZTRTGUWWJH-UHFFFAOYSA-N
SMILES:
CN1N=C(CC1=O)c1ccncc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.