(3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C15H9F3N2OS — CID 2814853

IUPAC(3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)n1ccc(-c2cccs2)n1
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)11-5-3-10(4-6-11)14(21)20-8-7-12(19-20)13-2-1-9-22-13/h1-9H
InChIKeyZPDMKGBIRJXIOU-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.32
Rot. Bonds2

About (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 2814853) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID2814853
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC Name(3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)n1ccc(-c2cccs2)n1
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)11-5-3-10(4-6-11)14(21)20-8-7-12(19-20)13-2-1-9-22-13/h1-9H
InChIKeyZPDMKGBIRJXIOU-UHFFFAOYSA-N
XLogP4.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 2814853) is (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)n1ccc(-c2cccs2)n1.
What is the InChIKey of (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZPDMKGBIRJXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c16-15(17,18)11-5-3-10(4-6-11)14(21)20-8-7-12(19-20)13-2-1-9-22-13/h1-9H.
What are the key properties of (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 322.31 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-ylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 2814853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).