1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole

C12H11F3N2 — CID 70990238

IUPAC1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCn1cc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H11F3N2/c1-2-17-8-10(7-16-17)9-3-5-11(6-4-9)12(13,14)15/h3-8H,2H2,1H3
InChIKeyJZKHKZNDLVWXDU-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.59
Rot. Bonds2

About 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole

1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 70990238) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID70990238
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCn1cc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H11F3N2/c1-2-17-8-10(7-16-17)9-3-5-11(6-4-9)12(13,14)15/h3-8H,2H2,1H3
InChIKeyJZKHKZNDLVWXDU-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole (CID 70990238) is 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole is CCn1cc(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is JZKHKZNDLVWXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-2-17-8-10(7-16-17)9-3-5-11(6-4-9)12(13,14)15/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 240.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 70990238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).