Name: Name:ethyl 1-(3-cyanophenyl)-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01BGD9
Rating: 90 (10 reviews)

ethyl 1-(3-cyanophenyl)-1H-pyrazole-3-carboxylate

CAS No.:

1027551-30-9

Catalog Number:

AG01BGD9

Molecular Formula:

C13H11N3O2

Molecular Weight:

241.2453

Catalog Number:

AG01BGD9

Chemical Name:

ethyl 1-(3-cyanophenyl)-1H-pyrazole-3-carboxylate

CAS Number:

1027551-30-9

Molecular Formula:

C13H11N3O2

Molecular Weight:

241.2453

MDL Number:

MFCD28139385

IUPAC Name:

ethyl 1-(3-cyanophenyl)pyrazole-3-carboxylate

InChI:

InChI=1S/C13H11N3O2/c1-2-18-13(17)12-6-7-16(15-12)11-5-3-4-10(8-11)9-14/h3-8H,2H2,1H3

InChI Key:

FDFLGVJOQVKKAG-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccn(n1)c1cccc(c1)C#N

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.25g/mol

Monoisotopic Mass:

241.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2