Home Carboxys 1-(2-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid

1-(2-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1002284-36-7
Catalog Number:
AG01BE0L
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
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Product Description
Catalog Number:
AG01BE0L
Chemical Name:
1-(2-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1002284-36-7
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD10451915
IUPAC Name:
1-(2-methylphenyl)-5-propylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C14H16N2O2/c1-3-6-13-11(14(17)18)9-15-16(13)12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,18)
InChI Key:
IFAZQBJFNXWODZ-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1ccccc1C)C(=O)O
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties