4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C15H15F6N5 — CID 141195152

IUPAC4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3)CC2C(F)(F)F)nc1
InChIInChI=1S/C15H15F6N5/c16-14(17,18)11-1-2-13(22-7-11)26-4-3-25(8-10-5-23-24-6-10)9-12(26)15(19,20)21/h1-2,5-7,12H,3-4,8-9H2,(H,23,24)
InChIKeyCNFIWRRKKUSFBD-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.08
Rot. Bonds3

About 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 141195152) has the molecular formula C15H15F6N5 and a molecular weight of 379.31 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID141195152
Molecular FormulaC15H15F6N5
Molecular Weight379.31 g/mol
Exact Mass379.12
IUPAC Name4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3)CC2C(F)(F)F)nc1
InChIInChI=1S/C15H15F6N5/c16-14(17,18)11-1-2-13(22-7-11)26-4-3-25(8-10-5-23-24-6-10)9-12(26)15(19,20)21/h1-2,5-7,12H,3-4,8-9H2,(H,23,24)
InChIKeyCNFIWRRKKUSFBD-UHFFFAOYSA-N
XLogP3.08
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 141195152) is 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3)CC2C(F)(F)F)nc1.
What is the InChIKey of 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is CNFIWRRKKUSFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6N5/c16-14(17,18)11-1-2-13(22-7-11)26-4-3-25(8-10-5-23-24-6-10)9-12(26)15(19,20)21/h1-2,5-7,12H,3-4,8-9H2,(H,23,24).
What are the key properties of 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 379.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 141195152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).