Name: Name:1-(2-HYDROXY-2-METHYLPROPYL)-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDROPYRAZOLE-4-CARBOXYLIC ACID
Brand: Angene
SKU: AG003CUL
Rating: 90 (10 reviews)

1-(2-HYDROXY-2-METHYLPROPYL)-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDROPYRAZOLE-4-CARBOXYLIC ACID

CAS No.:

913376-56-4

Catalog Number:

AG003CUL

Molecular Formula:

C15H18N2O4

Molecular Weight:

290.3144

Catalog Number:

AG003CUL

Chemical Name:

1-(2-HYDROXY-2-METHYLPROPYL)-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDROPYRAZOLE-4-CARBOXYLIC ACID

CAS Number:

913376-56-4

Molecular Formula:

C15H18N2O4

Molecular Weight:

290.3144

MDL Number:

MFCD17171381

IUPAC Name:

1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C15H18N2O4/c1-10-12(14(19)20)13(18)17(11-7-5-4-6-8-11)16(10)9-15(2,3)21/h4-8,21H,9H2,1-3H3,(H,19,20)

InChI Key:

JFOCTAMIXFTZBB-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(C)n(n(c1=O)c1ccccc1)CC(O)(C)C

Complexity:

478

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.319g/mol

Monoisotopic Mass:

290.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2