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

C15H13F3N2OS — CID 18175482

IUPAC3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)COc1ccc(C2CC(c3cccs3)=NN2)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/h1-7,12,19H,8-9H2
InChIKeyBJNAASKKYSZWKT-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.13
Rot. Bonds4

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

3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole (PubChem CID 18175482) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
PubChem CID18175482
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
SMILESFC(F)(F)COc1ccc(C2CC(c3cccs3)=NN2)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/h1-7,12,19H,8-9H2
InChIKeyBJNAASKKYSZWKT-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

Analyze 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole (CID 18175482) is 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole is FC(F)(F)COc1ccc(C2CC(c3cccs3)=NN2)cc1.
What is the InChIKey of 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
The InChIKey is BJNAASKKYSZWKT-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/h1-7,12,19H,8-9H2.
What are the key properties of 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole?
3-thiophen-2-yl-5-[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 3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).