5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

C13H11Cl2F3N2 — CID 70791399

IUPAC5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1cnn(CC(F)(F)F)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2F3N2/c1-2-8-6-19-20(7-13(16,17)18)12(8)10-4-3-9(14)5-11(10)15/h3-6H,2,7H2,1H3
InChIKeyMVEVQQGRBDFGRP-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.98
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 70791399) has the molecular formula C13H11Cl2F3N2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID70791399
Molecular FormulaC13H11Cl2F3N2
Molecular Weight323.15 g/mol
Exact Mass322.03
IUPAC Name5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1cnn(CC(F)(F)F)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2F3N2/c1-2-8-6-19-20(7-13(16,17)18)12(8)10-4-3-9(14)5-11(10)15/h3-6H,2,7H2,1H3
InChIKeyMVEVQQGRBDFGRP-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 70791399) is 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole is CCc1cnn(CC(F)(F)F)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is MVEVQQGRBDFGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F3N2/c1-2-8-6-19-20(7-13(16,17)18)12(8)10-4-3-9(14)5-11(10)15/h3-6H,2,7H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole?
5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 323.15 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 70791399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).