Home Carboxys 1H-Pyrazole-3-carboxylicacid,5-ethyl-4-fluoro-(9CI)

1H-Pyrazole-3-carboxylicacid,5-ethyl-4-fluoro-(9CI)

CAS No.:
681034-63-9
Catalog Number:
AG00FS3H
Molecular Formula:
C6H7FN2O2
Molecular Weight:
158.1304
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Product Description
Catalog Number:
AG00FS3H
Chemical Name:
1H-Pyrazole-3-carboxylicacid,5-ethyl-4-fluoro-(9CI)
CAS Number:
681034-63-9
Molecular Formula:
C6H7FN2O2
Molecular Weight:
158.1304
MDL Number:
MFCD13175099
IUPAC Name:
5-ethyl-4-fluoro-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7FN2O2/c1-2-3-4(7)5(6(10)11)9-8-3/h2H2,1H3,(H,8,9)(H,10,11)
InChI Key:
YHRGYNURXYGNCI-UHFFFAOYSA-N
SMILES:
CCc1[nH]nc(c1F)C(=O)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.049g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.132g/mol
Monoisotopic Mass:
158.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20071015
Properties