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

C14H11F3N2OS — CID 18175570

IUPAC5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C14H11F3N2OS/c15-14(16,17)20-10-5-3-9(4-6-10)11-8-12(19-18-11)13-2-1-7-21-13/h1-7,12,19H,8H2
InChIKeyRGPKVIYYDWJYAD-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.09
Rot. Bonds3

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

5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole (PubChem CID 18175570) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
PubChem CID18175570
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC Name5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C14H11F3N2OS/c15-14(16,17)20-10-5-3-9(4-6-10)11-8-12(19-18-11)13-2-1-7-21-13/h1-7,12,19H,8H2
InChIKeyRGPKVIYYDWJYAD-UHFFFAOYSA-N
XLogP4.09
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.09
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-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole (CID 18175570) is 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole is FC(F)(F)Oc1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is RGPKVIYYDWJYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c15-14(16,17)20-10-5-3-9(4-6-10)11-8-12(19-18-11)13-2-1-7-21-13/h1-7,12,19H,8H2.
What are the key properties of 5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole has a molecular weight of 312.32 g/mol, XLogP of 4.09, 3 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-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).