1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one

C24H29F3N4O — CID 10366286

IUPAC1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one
SMILESCC1C(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C(=O)N(c2ccccc2)N1C
InChIInChI=1S/C24H29F3N4O/c1-18-22(23(32)31(28(18)2)21-9-4-3-5-10-21)17-30-13-11-29(12-14-30)16-19-7-6-8-20(15-19)24(25,26)27/h3-10,15,18,22H,11-14,16-17H2,1-2H3
InChIKeyNFTLKKAKWJSRLA-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.72
Rot. Bonds5

About 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one

1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one (PubChem CID 10366286) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one
PubChem CID10366286
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one
SMILESCC1C(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C(=O)N(c2ccccc2)N1C
InChIInChI=1S/C24H29F3N4O/c1-18-22(23(32)31(28(18)2)21-9-4-3-5-10-21)17-30-13-11-29(12-14-30)16-19-7-6-8-20(15-19)24(25,26)27/h3-10,15,18,22H,11-14,16-17H2,1-2H3
InChIKeyNFTLKKAKWJSRLA-UHFFFAOYSA-N
XLogP3.72
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
1-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 63387970
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 75414112
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one (CID 10366286) is 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one is CC1C(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C(=O)N(c2ccccc2)N1C.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one?
The InChIKey is NFTLKKAKWJSRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-18-22(23(32)31(28(18)2)21-9-4-3-5-10-21)17-30-13-11-29(12-14-30)16-19-7-6-8-20(15-19)24(25,26)27/h3-10,15,18,22H,11-14,16-17H2,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one?
1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one has a molecular weight of 446.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrazolidin-3-one is sourced from PubChem (CID 10366286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).