4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole

C6H6ClF3N2O — CID 141420744

IUPAC4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole
SMILESCCn1ncc(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H6ClF3N2O/c1-2-12-5(4(7)3-11-12)13-6(8,9)10/h3H,2H2,1H3
InChIKeyLJGOYLCBYNYVPL-UHFFFAOYSA-N
MW214.57 g/mol
LogP2.45
Rot. Bonds2

About 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole

4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole (PubChem CID 141420744) has the molecular formula C6H6ClF3N2O and a molecular weight of 214.57 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole
PubChem CID141420744
Molecular FormulaC6H6ClF3N2O
Molecular Weight214.57 g/mol
Exact Mass214.01
IUPAC Name4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole
SMILESCCn1ncc(Cl)c1OC(F)(F)F
InChIInChI=1S/C6H6ClF3N2O/c1-2-12-5(4(7)3-11-12)13-6(8,9)10/h3H,2H2,1H3
InChIKeyLJGOYLCBYNYVPL-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole?
The IUPAC name of 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole (CID 141420744) is 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole?
The canonical SMILES for 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole is CCn1ncc(Cl)c1OC(F)(F)F.
What is the InChIKey of 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole?
The InChIKey is LJGOYLCBYNYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O/c1-2-12-5(4(7)3-11-12)13-6(8,9)10/h3H,2H2,1H3.
What are the key properties of 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole?
4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole has a molecular weight of 214.57 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-(trifluoromethoxy)pyrazole is sourced from PubChem (CID 141420744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).