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Home Other Building Blocks 2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid

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

CAS No.:
957023-29-9
Catalog Number:
AG019OQ5
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
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Product Description
Catalog Number:
AG019OQ5
Chemical Name:
2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CAS Number:
957023-29-9
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD07348595
IUPAC Name:
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
InChI:
InChI=1S/C11H18N2O2/c1-7(2)6-13-9(4)10(5-11(14)15)8(3)12-13/h7H,5-6H2,1-4H3,(H,14,15)
InChI Key:
QRVMFOVTGOXUCJ-UHFFFAOYSA-N
SMILES:
CC(Cn1nc(c(c1C)CC(=O)O)C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties