5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C7H7F3N2O2 — CID 53430191

IUPAC5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
SMILESCCc1[nH]nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H7F3N2O2/c1-2-3-4(6(13)14)5(12-11-3)7(8,9)10/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyOPQJIUBZTPCPML-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.69
Rot. Bonds2

About 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 53430191) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
PubChem CID53430191
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
SMILESCCc1[nH]nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H7F3N2O2/c1-2-3-4(6(13)14)5(12-11-3)7(8,9)10/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyOPQJIUBZTPCPML-UHFFFAOYSA-N
XLogP1.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CID 53430191) is 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is CCc1[nH]nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is OPQJIUBZTPCPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-3-4(6(13)14)5(12-11-3)7(8,9)10/h2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 208.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 53430191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).