1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole

C7H9F3N2S — CID 175121396

IUPAC1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1SC
InChIInChI=1S/C7H9F3N2S/c1-3-12-6(13-2)4-5(11-12)7(8,9)10/h4H,3H2,1-2H3
InChIKeyHAHJDEMMRPMJID-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.64
Rot. Bonds2

About 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole

1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole (PubChem CID 175121396) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole
PubChem CID175121396
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1SC
InChIInChI=1S/C7H9F3N2S/c1-3-12-6(13-2)4-5(11-12)7(8,9)10/h4H,3H2,1-2H3
InChIKeyHAHJDEMMRPMJID-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole 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 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole (CID 175121396) is 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1SC.
What is the InChIKey of 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole?
The InChIKey is HAHJDEMMRPMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-3-12-6(13-2)4-5(11-12)7(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole?
1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole has a molecular weight of 210.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylsulfanyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175121396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).