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

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

CAS No.:
1006334-24-2
Catalog Number:
AG00JEVO
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG00JEVO
Chemical Name:
1-cyclopentyl-1H-pyrazole-5-carboxylic acid
CAS Number:
1006334-24-2
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD06805235
IUPAC Name:
2-cyclopentylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c12-9(13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13)
InChI Key:
RCESRIZDABALBM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnn1C1CCCC1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/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