1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine

C15H19F3N4S — CID 58955800

IUPAC1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1
InChIInChI=1S/C15H19F3N4S/c1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyJSJYKIVKKCFXCO-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.91
Rot. Bonds3

About 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine

1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine (PubChem CID 58955800) has the molecular formula C15H19F3N4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine
PubChem CID58955800
Molecular FormulaC15H19F3N4S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1
InChIInChI=1S/C15H19F3N4S/c1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12/h3-4,9H,5-8,10H2,1-2H3
InChIKeyJSJYKIVKKCFXCO-UHFFFAOYSA-N
XLogP2.91
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine (CID 58955800) is 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine is CN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.
What is the InChIKey of 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine?
The InChIKey is JSJYKIVKKCFXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4S/c1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine?
1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine has a molecular weight of 344.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 58955800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).