5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole

C15H13F3N2OS — CID 18175545

IUPAC5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)COc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)9-21-11-5-3-10(4-6-11)12-8-13(20-19-12)14-2-1-7-22-14/h1-7,13,20H,8-9H2
InChIKeyIGVSRXYICYUZNZ-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.13
Rot. Bonds4

About 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole

5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole (PubChem CID 18175545) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
PubChem CID18175545
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)COc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)9-21-11-5-3-10(4-6-11)12-8-13(20-19-12)14-2-1-7-22-14/h1-7,13,20H,8-9H2
InChIKeyIGVSRXYICYUZNZ-UHFFFAOYSA-N
XLogP4.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole (CID 18175545) is 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole is FC(F)(F)COc1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is IGVSRXYICYUZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c16-15(17,18)9-21-11-5-3-10(4-6-11)12-8-13(20-19-12)14-2-1-7-22-14/h1-7,13,20H,8-9H2.
What are the key properties of 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole has a molecular weight of 326.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).