Name: Name:4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one
Brand: Angene
SKU: AG006NJN
Rating: 90 (10 reviews)

4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one

CAS No.:

6630-73-5

Catalog Number:

AG006NJN

Molecular Formula:

C13H13ClN2O2

Molecular Weight:

264.7075

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Product Description

Catalog Number:

AG006NJN

Chemical Name:

4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one

CAS Number:

6630-73-5

Molecular Formula:

C13H13ClN2O2

Molecular Weight:

264.7075

MDL Number:

MFCD00020786

IUPAC Name:

4-(2-chloroacetyl)-1,5-dimethyl-2-phenylpyrazol-3-one

InChI:

InChI=1S/C13H13ClN2O2/c1-9-12(11(17)8-14)13(18)16(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3

InChI Key:

QGWUTAPXLRKROO-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1c(C)n(n(c1=O)c1ccccc1)C

NSC Number:

59994

Properties

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.709g/mol

Monoisotopic Mass:

264.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis of some imidazolyl-thioacetyl-pyrazolinone derivatives and their antinociceptive and anticancer activities.	Journal of enzyme inhibition and medicinal chemistry 20100201