1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone

C14H11F3N4OS — CID 2820330

IUPAC1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1ccc(-c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1
InChIInChI=1S/C14H11F3N4OS/c1-8(22)21-6-5-9(19-21)11-3-4-12(23-11)10-7-13(14(15,16)17)20(2)18-10/h3-7H,1-2H3
InChIKeyPDSCJCMGOJYBJZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.69
Rot. Bonds2

About 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone

1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone (PubChem CID 2820330) has the molecular formula C14H11F3N4OS and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone
PubChem CID2820330
Molecular FormulaC14H11F3N4OS
Molecular Weight340.33 g/mol
Exact Mass340.06
IUPAC Name1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1ccc(-c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1
InChIInChI=1S/C14H11F3N4OS/c1-8(22)21-6-5-9(19-21)11-3-4-12(23-11)10-7-13(14(15,16)17)20(2)18-10/h3-7H,1-2H3
InChIKeyPDSCJCMGOJYBJZ-UHFFFAOYSA-N
XLogP3.69
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone 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 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone (CID 2820330) is 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone is CC(=O)n1ccc(-c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1.
What is the InChIKey of 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone?
The InChIKey is PDSCJCMGOJYBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4OS/c1-8(22)21-6-5-9(19-21)11-3-4-12(23-11)10-7-13(14(15,16)17)20(2)18-10/h3-7H,1-2H3.
What are the key properties of 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone?
1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone has a molecular weight of 340.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 2820330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).