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

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

CAS No.:
1303797-58-1
Catalog Number:
AG01A3IU
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
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Product Description
Catalog Number:
AG01A3IU
Chemical Name:
1-cyclopentyl-5-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1303797-58-1
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD14609411
IUPAC Name:
1-cyclopentyl-5-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H14N2O2/c1-7-9(10(13)14)6-11-12(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)
InChI Key:
XKNSWGRCZIHPHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C)C1CCCC1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties