Name: Name:3-[1-(1-methyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)formamido]propanoic acid
Brand: Angene
SKU: AG01ACCU
Rating: 90 (10 reviews)

3-[1-(1-methyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)formamido]propanoic acid

CAS No.:

1182918-27-9

Catalog Number:

AG01ACCU

Molecular Formula:

C15H17N3O3

Molecular Weight:

287.3138

Catalog Number:

AG01ACCU

Chemical Name:

3-[1-(1-methyl-1H-pyrazol-4-yl)-N-(2-methylphenyl)formamido]propanoic acid

CAS Number:

1182918-27-9

Molecular Formula:

C15H17N3O3

Molecular Weight:

287.3138

MDL Number:

MFCD26407949

IUPAC Name:

3-(2-methyl-N-(1-methylpyrazole-4-carbonyl)anilino)propanoic acid

InChI:

InChI=1S/C15H17N3O3/c1-11-5-3-4-6-13(11)18(8-7-14(19)20)15(21)12-9-16-17(2)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)

InChI Key:

QSCFHSQYOGBSCG-UHFFFAOYSA-N

SMILES:

OC(=O)CCN(c1ccccc1C)C(=O)c1cnn(c1)C

Complexity:

388

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.319g/mol

Monoisotopic Mass:

287.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1