Name: Name:3-[1-(2-cyanoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoic acid
Brand: Angene
SKU: AG019L1J
Rating: 90 (10 reviews)

3-[1-(2-cyanoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoic acid

CAS No.:

1019074-26-0

Catalog Number:

AG019L1J

Molecular Formula:

C11H15N3O2

Molecular Weight:

221.2557

Catalog Number:

AG019L1J

Chemical Name:

3-[1-(2-cyanoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoic acid

CAS Number:

1019074-26-0

Molecular Formula:

C11H15N3O2

Molecular Weight:

221.2557

MDL Number:

MFCD09051597

IUPAC Name:

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoic acid

InChI:

InChI=1S/C11H15N3O2/c1-8-10(4-5-11(15)16)9(2)14(13-8)7-3-6-12/h3-5,7H2,1-2H3,(H,15,16)

InChI Key:

NKLXFIZDENWOEQ-UHFFFAOYSA-N

SMILES:

N#CCCn1nc(c(c1C)CCC(=O)O)C

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.26g/mol

Monoisotopic Mass:

221.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4