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

C15H14ClF3N4O — CID 118526572

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCN(c2cccc(Cl)c2)CC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C15H14ClF3N4O/c16-12-2-1-3-13(8-12)21-4-6-22(7-5-21)14(24)23-10-11(9-20-23)15(17,18)19/h1-3,8-10H,4-7H2
InChIKeyLFTCBWWGHMLPMH-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.35
Rot. Bonds1

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

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526572) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526572
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCN(c2cccc(Cl)c2)CC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C15H14ClF3N4O/c16-12-2-1-3-13(8-12)21-4-6-22(7-5-21)14(24)23-10-11(9-20-23)15(17,18)19/h1-3,8-10H,4-7H2
InChIKeyLFTCBWWGHMLPMH-UHFFFAOYSA-N
XLogP3.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526982
(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526728
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 130187631
[4-[[3-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 130187567
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
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
2,2,2-trichloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 4196573
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526572) is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCN(c2cccc(Cl)c2)CC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is LFTCBWWGHMLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c16-12-2-1-3-13(8-12)21-4-6-22(7-5-21)14(24)23-10-11(9-20-23)15(17,18)19/h1-3,8-10H,4-7H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 358.75 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).