Name: Name:1-(2-cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BE4P
Rating: 90 (10 reviews)

1-(2-cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1292636-76-0

Catalog Number:

AG01BE4P

Molecular Formula:

C13H11N3O2

Molecular Weight:

241.2453

Catalog Number:

AG01BE4P

Chemical Name:

1-(2-cyanoethyl)-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1292636-76-0

Molecular Formula:

C13H11N3O2

Molecular Weight:

241.2453

MDL Number:

MFCD13501680

IUPAC Name:

1-(2-cyanoethyl)-5-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H11N3O2/c14-7-4-8-16-12(10-5-2-1-3-6-10)11(9-15-16)13(17)18/h1-3,5-6,9H,4,8H2,(H,17,18)

InChI Key:

ADCUOAJQCJMPLG-UHFFFAOYSA-N

SMILES:

N#CCCn1ncc(c1c1ccccc1)C(=O)O

Complexity:

343

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:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: