Name: Name:5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
Brand: Angene
SKU: AG008ZFG
Rating: 90 (10 reviews)

5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile

CAS No.:

106368-32-5

Catalog Number:

AG008ZFG

Molecular Formula:

C11H10N4O2S

Molecular Weight:

262.2877

Catalog Number:

AG008ZFG

Chemical Name:

5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile

CAS Number:

106368-32-5

Molecular Formula:

C11H10N4O2S

Molecular Weight:

262.2877

MDL Number:

MFCD00128344

IUPAC Name:

5-amino-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile

InChI:

InChI=1S/C11H10N4O2S/c1-18(16,17)10-4-2-9(3-5-10)15-11(13)8(6-12)7-14-15/h2-5,7H,13H2,1H3

InChI Key:

KZDIEUIKKWXKDQ-UHFFFAOYSA-N

SMILES:

N#Cc1cnn(c1N)c1ccc(cc1)S(=O)(=O)C

Complexity:

441

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.287g/mol

Monoisotopic Mass:

262.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1