1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine

C16H18F4N4 — CID 154541150

IUPAC1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
SMILESFc1ccc(N2CCN(CCn3ccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C16H18F4N4/c17-13-1-3-14(4-2-13)23-10-7-22(8-11-23)9-12-24-6-5-15(21-24)16(18,19)20/h1-6H,7-12H2
InChIKeyXZHPVJAUOSXRDF-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine

1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine (PubChem CID 154541150) has the molecular formula C16H18F4N4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
PubChem CID154541150
Molecular FormulaC16H18F4N4
Molecular Weight342.34 g/mol
Exact Mass342.15
IUPAC Name1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
SMILESFc1ccc(N2CCN(CCn3ccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C16H18F4N4/c17-13-1-3-14(4-2-13)23-10-7-22(8-11-23)9-12-24-6-5-15(21-24)16(18,19)20/h1-6H,7-12H2
InChIKeyXZHPVJAUOSXRDF-UHFFFAOYSA-N
XLogP2.86
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318148
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171704300
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55969661
1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709660
3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazolidine
CID 151289970
1-[4-(4-fluorophenyl)-1-[3-(trifluoromethyl)pyrazol-1-yl]piperazin-2-yl]ethanone
CID 69002033
1-(2-bromo-3,3,3-trifluoropropyl)-4-(4-fluorophenyl)piperazine
CID 64758736

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine (CID 154541150) is 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine is Fc1ccc(N2CCN(CCn3ccc(C(F)(F)F)n3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine?
The InChIKey is XZHPVJAUOSXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4/c17-13-1-3-14(4-2-13)23-10-7-22(8-11-23)9-12-24-6-5-15(21-24)16(18,19)20/h1-6H,7-12H2.
What are the key properties of 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine?
1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine has a molecular weight of 342.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine is sourced from PubChem (CID 154541150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).