1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole

C12H11F3N2 — CID 126668779

IUPAC1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1ccc(C(F)(F)F)cc1-n1cccn1
InChIInChI=1S/C12H11F3N2/c1-2-9-4-5-10(12(13,14)15)8-11(9)17-7-3-6-16-17/h3-8H,2H2,1H3
InChIKeyWLNTUSNSKJPVAR-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.45
Rot. Bonds2

About 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole

1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole (PubChem CID 126668779) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
PubChem CID126668779
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1ccc(C(F)(F)F)cc1-n1cccn1
InChIInChI=1S/C12H11F3N2/c1-2-9-4-5-10(12(13,14)15)8-11(9)17-7-3-6-16-17/h3-8H,2H2,1H3
InChIKeyWLNTUSNSKJPVAR-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole (CID 126668779) is 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole is CCc1ccc(C(F)(F)F)cc1-n1cccn1.
What is the InChIKey of 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is WLNTUSNSKJPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-2-9-4-5-10(12(13,14)15)8-11(9)17-7-3-6-16-17/h3-8H,2H2,1H3.
What are the key properties of 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole?
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 240.23 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 126668779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).