Name: Name:1-(2-cyanoethyl)-3-(naphthalen-1-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019XV1
Rating: 90 (10 reviews)

1-(2-cyanoethyl)-3-(naphthalen-1-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

957369-89-0

Catalog Number:

AG019XV1

Molecular Formula:

C17H13N3O2

Molecular Weight:

291.3040

Catalog Number:

AG019XV1

Chemical Name:

1-(2-cyanoethyl)-3-(naphthalen-1-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

957369-89-0

Molecular Formula:

C17H13N3O2

Molecular Weight:

291.3040

MDL Number:

MFCD07392146

IUPAC Name:

1-(2-cyanoethyl)-3-naphthalen-1-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C17H13N3O2/c18-9-4-10-20-11-15(17(21)22)16(19-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,11H,4,10H2,(H,21,22)

InChI Key:

YXPQEHOEXXHHAE-UHFFFAOYSA-N

SMILES:

N#CCCn1cc(c(n1)c1cccc2c1cccc2)C(=O)O

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.31g/mol

Monoisotopic Mass:

291.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3