Name: Name:1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
Brand: Angene
SKU: AG01BDZO
Rating: 90 (10 reviews)

1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

CAS No.:

1496200-27-1

Catalog Number:

AG01BDZO

Molecular Formula:

C12H17N3O3

Molecular Weight:

251.2817

Catalog Number:

AG01BDZO

Chemical Name:

1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

CAS Number:

1496200-27-1

Molecular Formula:

C12H17N3O3

Molecular Weight:

251.2817

MDL Number:

MFCD19416389

IUPAC Name:

1-ethyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid

InChI:

InChI=1S/C12H17N3O3/c1-3-15-10(16)5-4-9(12(17)18)11(15)8-6-13-14(2)7-8/h6-7,9,11H,3-5H2,1-2H3,(H,17,18)

InChI Key:

BSGFYDZTLSLFCP-UHFFFAOYSA-N

SMILES:

CCN1C(=O)CCC(C1c1cnn(c1)C)C(=O)O

Complexity:

348

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.286g/mol

Monoisotopic Mass:

251.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5