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

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

CAS No.:
1247493-90-8
Catalog Number:
AG01B1MI
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
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Product Description
Catalog Number:
AG01B1MI
Chemical Name:
1-cyclopentyl-5-ethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1247493-90-8
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD14609413
IUPAC Name:
1-cyclopentyl-5-ethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H16N2O2/c1-2-10-9(11(14)15)7-12-13(10)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H,14,15)
InChI Key:
DACPZVLRBMREGM-UHFFFAOYSA-N
SMILES:
CCc1n(ncc1C(=O)O)C1CCCC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties