[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C16H17F3N4O — CID 118526982

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)n3cc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C16H17F3N4O/c1-12-3-2-4-14(9-12)21-5-7-22(8-6-21)15(24)23-11-13(10-20-23)16(17,18)19/h2-4,9-11H,5-8H2,1H3
InChIKeyWYUCTKIBEZRXTL-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.00
Rot. Bonds1

About [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526982) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526982
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)n3cc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C16H17F3N4O/c1-12-3-2-4-14(9-12)21-5-7-22(8-6-21)15(24)23-11-13(10-20-23)16(17,18)19/h2-4,9-11H,5-8H2,1H3
InChIKeyWYUCTKIBEZRXTL-UHFFFAOYSA-N
XLogP3.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526572
(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526728
[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526831
(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 130187631
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
[4-[[3-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 130187567
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526982) is [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone is Cc1cccc(N2CCN(C(=O)n3cc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is WYUCTKIBEZRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-12-3-2-4-14(9-12)21-5-7-22(8-6-21)15(24)23-11-13(10-20-23)16(17,18)19/h2-4,9-11H,5-8H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).