(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C15H15F3N4O — CID 118526728

IUPAC(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-10-19-22(11-12)14(23)21-8-6-20(7-9-21)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2
InChIKeyFVZZOXDURLBPRJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.69
Rot. Bonds1

About (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone

(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526728) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526728
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N4O/c16-15(17,18)12-10-19-22(11-12)14(23)21-8-6-20(7-9-21)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2
InChIKeyFVZZOXDURLBPRJ-UHFFFAOYSA-N
XLogP2.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526831
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526572
[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526982
4-(2-chlorophenyl)piperazine-1-carbonyl chloride;[4-(2-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone;4-(trifluoromethyl)-1H-pyrazole
CID 161208572
[4-[[3-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 130187567
tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]-1,4-diazepane-1-carboxylate
CID 118526897
(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 130187631
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2105680
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
phenyl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 171778996

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526728) is (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCN(c2ccccc2)CC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is FVZZOXDURLBPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-15(17,18)12-10-19-22(11-12)14(23)21-8-6-20(7-9-21)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 324.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).