Name: Name:2-[1-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetic acid
Brand: Angene
SKU: AG019O87
Rating: 90 (10 reviews)

2-[1-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetic acid

CAS No.:

852851-73-1

Catalog Number:

AG019O87

Molecular Formula:

C9H14N2O3

Molecular Weight:

198.2191

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Product Description

Catalog Number:

AG019O87

Chemical Name:

2-[1-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetic acid

CAS Number:

852851-73-1

Molecular Formula:

C9H14N2O3

Molecular Weight:

198.2191

MDL Number:

MFCD06655645

IUPAC Name:

2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetic acid

InChI:

InChI=1S/C9H14N2O3/c1-6(2)5-11-8(12)3-7(10-11)4-9(13)14/h3,6,10H,4-5H2,1-2H3,(H,13,14)

InChI Key:

ZUHYFPMWZVPVHD-UHFFFAOYSA-N

SMILES:

CC(Cn1[nH]c(cc1=O)CC(=O)O)C

Properties

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.222g/mol

Monoisotopic Mass:

198.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101