Name: Name:2-chloro-1-[3-(furan-2-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Brand: Angene
SKU: AG019NS3
Rating: 90 (10 reviews)

2-chloro-1-[3-(furan-2-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

CAS No.:

796106-54-2

Catalog Number:

AG019NS3

Molecular Formula:

C13H11ClN2O2S

Molecular Weight:

294.7566

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Product Description

Catalog Number:

AG019NS3

Chemical Name:

2-chloro-1-[3-(furan-2-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

CAS Number:

796106-54-2

Molecular Formula:

C13H11ClN2O2S

Molecular Weight:

294.7566

MDL Number:

MFCD06372769

IUPAC Name:

2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

InChI:

InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2

InChI Key:

ZBZGUXCOHGXIRI-UHFFFAOYSA-N

SMILES:

ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1

Properties

Complexity:

391

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.753g/mol

Monoisotopic Mass:

294.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501