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920006-32-2

920006-32-2 | 1-Isopropyl-1H-pyrazole-5-carboxylic acid

CAS No: 920006-32-2 Catalog No: AG003EGB MDL No:MFCD03130043

Product Description

Catalog Number:
AG003EGB
Chemical Name:
1-Isopropyl-1H-pyrazole-5-carboxylic acid
CAS Number:
920006-32-2
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD03130043
IUPAC Name:
2-propan-2-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-5(2)9-6(7(10)11)3-4-8-9/h3-5H,1-2H3,(H,10,11)
InChI Key:
ZIHRJZBCLMMKTC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnn1C(C)C

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Literature

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

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