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

C18H18F3N5S — CID 56584291

IUPAC1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cn3ccc(-c4ccsc4)n3)CC2)nc1
InChIInChI=1S/C18H18F3N5S/c19-18(20,21)15-1-2-17(22-11-15)25-8-6-24(7-9-25)13-26-5-3-16(23-26)14-4-10-27-12-14/h1-5,10-12H,6-9,13H2
InChIKeyNRXPUJMGFOXWRH-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.81
Rot. Bonds4

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

1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 56584291) has the molecular formula C18H18F3N5S and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID56584291
Molecular FormulaC18H18F3N5S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cn3ccc(-c4ccsc4)n3)CC2)nc1
InChIInChI=1S/C18H18F3N5S/c19-18(20,21)15-1-2-17(22-11-15)25-8-6-24(7-9-25)13-26-5-3-16(23-26)14-4-10-27-12-14/h1-5,10-12H,6-9,13H2
InChIKeyNRXPUJMGFOXWRH-UHFFFAOYSA-N
XLogP3.81
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
Alk-5-IN-1
CID 24880914
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
2-(4-methyl-1H-pyrazol-1-yl)-4-thien-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245539
2-[1-[1-(4-Fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589206
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
CID 44589329
3-Thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-b]pyridazine
CID 71578246
3-Pyridin-4-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 137646892

Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 56584291) is 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCN(Cn3ccc(-c4ccsc4)n3)CC2)nc1.
What is the InChIKey of 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is NRXPUJMGFOXWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5S/c19-18(20,21)15-1-2-17(22-11-15)25-8-6-24(7-9-25)13-26-5-3-16(23-26)14-4-10-27-12-14/h1-5,10-12H,6-9,13H2.
What are the key properties of 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 393.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 56584291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).