Name: Name:ethyl 1-(3-fluoro-5-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate
Brand: Angene
SKU: AG01C3QD
Rating: 90 (10 reviews)

ethyl 1-(3-fluoro-5-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate

CAS No.:

1909319-42-1

Catalog Number:

AG01C3QD

Molecular Formula:

C16H17FN2O2

Molecular Weight:

288.3168

Catalog Number:

AG01C3QD

Chemical Name:

ethyl 1-(3-fluoro-5-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate

CAS Number:

1909319-42-1

Molecular Formula:

C16H17FN2O2

Molecular Weight:

288.3168

MDL Number:

MFCD29762847

IUPAC Name:

ethyl 1-(3-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

InChI:

InChI=1S/C16H17FN2O2/c1-3-21-16(20)15-13-5-4-6-14(13)19(18-15)12-8-10(2)7-11(17)9-12/h7-9H,3-6H2,1-2H3

InChI Key:

ZQHASECHCVWFLQ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c2c1CCC2)c1cc(C)cc(c1)F

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.322g/mol

Monoisotopic Mass:

288.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6