Home Carboxys 3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid

3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:
957500-07-1
Catalog Number:
AG005YCH
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG005YCH
Chemical Name:
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
957500-07-1
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD07186420
IUPAC Name:
5-cyclopropyl-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-10-7(8(11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChI Key:
WAVQQDWWBUEGMB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nn1C)C1CC1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties