1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine

C25H28F3N3O2S — CID 1485734

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)cc1
InChIInChI=1S/C25H28F3N3O2S/c1-24(2,3)19-7-9-21(10-8-19)34(32,33)31-13-11-17(12-14-31)22-16-23(30-29-22)18-5-4-6-20(15-18)25(26,27)28/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)
InChIKeyLNPCJXLELHADEI-UHFFFAOYSA-N
MW491.58 g/mol
LogP5.96
Rot. Bonds4

About 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine

1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine (PubChem CID 1485734) has the molecular formula C25H28F3N3O2S and a molecular weight of 491.58 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
PubChem CID1485734
Molecular FormulaC25H28F3N3O2S
Molecular Weight491.58 g/mol
Exact Mass491.19
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)cc1
InChIInChI=1S/C25H28F3N3O2S/c1-24(2,3)19-7-9-21(10-8-19)34(32,33)31-13-11-17(12-14-31)22-16-23(30-29-22)18-5-4-6-20(15-18)25(26,27)28/h4-10,15-17H,11-14H2,1-3H3,(H,29,30)
InChIKeyLNPCJXLELHADEI-UHFFFAOYSA-N
XLogP5.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]sulfonylbenzonitrile
CID 71839608
1-(4-tert-butylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazolidin-3-yl]piperidine
CID 52953744
1-[(3-fluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 1485743
5-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 3920462
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902
1-[(3S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987995
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylpyridine
CID 68554867
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 46081977
3-[3-(trifluoromethyl)phenyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121095970
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589889
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine (CID 1485734) is 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
The InChIKey is LNPCJXLELHADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2S/c1-24(2,3)19-7-9-21(10-8-19)34(32,33)31-13-11-17(12-14-31)22-16-23(30-29-22)18-5-4-6-20(15-18)25(26,27)28/h4-10,15-17H,11-14H2,1-3H3,(H,29,30).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine?
1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine has a molecular weight of 491.58 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 1485734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).