Home Carboxys 1-cyclopentyl-5-phenyl-1H-pyrazole-4-carboxylic acid

1-cyclopentyl-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1306092-80-7
Catalog Number:
AG01C39K
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
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Product Description
Catalog Number:
AG01C39K
Chemical Name:
1-cyclopentyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1306092-80-7
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
MDL Number:
MFCD13501681
IUPAC Name:
1-cyclopentyl-5-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C15H16N2O2/c18-15(19)13-10-16-17(12-8-4-5-9-12)14(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,18,19)
InChI Key:
SKIOANPDBKGDOM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1c1ccccc1)C1CCCC1
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties