Name: Name:3-{3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
Brand: Angene
SKU: AG019K3Q
Rating: 90 (10 reviews)

3-{3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

CAS No.:

900137-38-4

Catalog Number:

AG019K3Q

Molecular Formula:

C12H12N4O2

Molecular Weight:

244.2493

Catalog Number:

AG019K3Q

Chemical Name:

3-{3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

CAS Number:

900137-38-4

Molecular Formula:

C12H12N4O2

Molecular Weight:

244.2493

MDL Number:

MFCD08166736

IUPAC Name:

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

InChI:

InChI=1S/C12H12N4O2/c1-7-10(3-4-11(17)18)8(2)16-12(15-7)9(5-13)6-14-16/h6H,3-4H2,1-2H3,(H,17,18)

InChI Key:

AOFBMCIQKCEFFI-UHFFFAOYSA-N

SMILES:

N#Cc1cnn2c1nc(C)c(c2C)CCC(=O)O

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.254g/mol

Monoisotopic Mass:

244.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6