Name: Name:1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-iodophenyl)-, ethyl ester
Brand: Angene
SKU: AG000FOO
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-iodophenyl)-, ethyl ester

CAS No.:

1150164-66-1

Catalog Number:

AG000FOO

Molecular Formula:

C13H11IN4O2

Molecular Weight:

382.1565

Catalog Number:

AG000FOO

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(3-iodophenyl)-, ethyl ester

CAS Number:

1150164-66-1

Molecular Formula:

C13H11IN4O2

Molecular Weight:

382.1565

IUPAC Name:

ethyl 5-amino-4-cyano-1-(3-iodophenyl)pyrazole-3-carboxylate

InChI:

InChI=1S/C13H11IN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-4-8(14)6-9/h3-6H,2,16H2,1H3

InChI Key:

SWSBKUAZDUMVBE-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c(c1C#N)N)c1cccc(c1)I

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

381.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

382.161g/mol

Monoisotopic Mass:

381.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: