ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate

C7H7F3N2O2 — CID 143220957

IUPACethyl 4-(trifluoromethyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O2/c1-2-14-6(13)12-4-5(3-11-12)7(8,9)10/h3-4H,2H2,1H3
InChIKeyZRFCMJJMTQXREI-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.91
Rot. Bonds1

About ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate

ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate (PubChem CID 143220957) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trifluoromethyl)pyrazole-1-carboxylate
PubChem CID143220957
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Nameethyl 4-(trifluoromethyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2O2/c1-2-14-6(13)12-4-5(3-11-12)7(8,9)10/h3-4H,2H2,1H3
InChIKeyZRFCMJJMTQXREI-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate?
The IUPAC name of ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate (CID 143220957) is ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate?
The canonical SMILES for ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate is CCOC(=O)n1cc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate?
The InChIKey is ZRFCMJJMTQXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-14-6(13)12-4-5(3-11-12)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate?
ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate has a molecular weight of 208.14 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trifluoromethyl)pyrazole-1-carboxylate is sourced from PubChem (CID 143220957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).