1-(2-fluoroethyl)pyrazole-3-carboxylic acid

C6H7FN2O2 — CID 58356374

IUPAC1-(2-fluoroethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCF)n1
InChIInChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4H2,(H,10,11)
InChIKeyCUOWNWHOEBDREB-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.55
Rot. Bonds3

About 1-(2-fluoroethyl)pyrazole-3-carboxylic acid

1-(2-fluoroethyl)pyrazole-3-carboxylic acid (PubChem CID 58356374) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrazole-3-carboxylic acid
PubChem CID58356374
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name1-(2-fluoroethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCF)n1
InChIInChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4H2,(H,10,11)
InChIKeyCUOWNWHOEBDREB-UHFFFAOYSA-N
XLogP0.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)pyrazole-3-carboxylic acid (CID 58356374) is 1-(2-fluoroethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)pyrazole-3-carboxylic acid?
The InChIKey is CUOWNWHOEBDREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4H2,(H,10,11).
What are the key properties of 1-(2-fluoroethyl)pyrazole-3-carboxylic acid?
1-(2-fluoroethyl)pyrazole-3-carboxylic acid has a molecular weight of 158.13 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 58356374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).