(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C21H23F3N4O — CID 44509797

IUPAC(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)16-7-4-8-17(13-16)27-9-11-28(12-10-27)20(29)19-14-18(25-26-19)15-5-2-1-3-6-15/h1-8,13,18-19,25-26H,9-12,14H2
InChIKeyMINSNMBADTYZAW-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.96
Rot. Bonds3

About (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 44509797) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID44509797
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)16-7-4-8-17(13-16)27-9-11-28(12-10-27)20(29)19-14-18(25-26-19)15-5-2-1-3-6-15/h1-8,13,18-19,25-26H,9-12,14H2
InChIKeyMINSNMBADTYZAW-UHFFFAOYSA-N
XLogP2.96
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
(1S,2S,3S,4S)-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98299242
(1R,2R,3S,4S)-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27521978
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 6981925
2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 73338463
(5-cyclopropylpyrazolidin-3-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 74503811
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
[(2S,4S)-4-azidopyrrolidin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 118760123
[5-(3-chlorophenyl)pyrazolidin-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 75194160
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069

Frequently Asked Questions

What is the IUPAC name of (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 44509797) is (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(C1CC(c2ccccc2)NN1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is MINSNMBADTYZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c22-21(23,24)16-7-4-8-17(13-16)27-9-11-28(12-10-27)20(29)19-14-18(25-26-19)15-5-2-1-3-6-15/h1-8,13,18-19,25-26H,9-12,14H2.
What are the key properties of (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 404.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44509797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).