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

C14H11F3N2OS — CID 18175512

IUPAC3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(C2CC(c3cccs3)=NN2)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/h1-7,11,18H,8H2
InChIKeyYKTLRHOOMMGQEA-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.09
Rot. Bonds3

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

3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole (PubChem CID 18175512) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
PubChem CID18175512
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC Name3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(C2CC(c3cccs3)=NN2)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/h1-7,11,18H,8H2
InChIKeyYKTLRHOOMMGQEA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole (CID 18175512) is 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole is FC(F)(F)Oc1ccc(C2CC(c3cccs3)=NN2)cc1.
What is the InChIKey of 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is YKTLRHOOMMGQEA-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/h1-7,11,18H,8H2.
What are the key properties of 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
3-thiophen-2-yl-5-[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 3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).