[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C17H11F3N2O2S — CID 50916873

IUPAC[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-25-13/h1-11H/b8-7+
InChIKeyGQBIFRBEFOSRHN-BQYQJAHWSA-N
MW364.35 g/mol
LogP4.70
Rot. Bonds4

About [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 50916873) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID50916873
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-25-13/h1-11H/b8-7+
InChIKeyGQBIFRBEFOSRHN-BQYQJAHWSA-N
XLogP4.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 50916873) is [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2cccs2)n1.
What is the InChIKey of [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is GQBIFRBEFOSRHN-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-25-13/h1-11H/b8-7+.
What are the key properties of [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 364.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 50916873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).