4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C25H22F3N3O2S — CID 1482150

IUPAC4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C25H22F3N3O2S/c26-25(27,28)19-7-4-8-20(15-19)34(32,33)31-13-11-18(12-14-31)23-16-24(30-29-23)22-10-3-6-17-5-1-2-9-21(17)22/h1-10,15-16,18H,11-14H2,(H,29,30)
InChIKeyCKPQJTDKKIDMRJ-UHFFFAOYSA-N
MW485.53 g/mol
LogP5.82
Rot. Bonds4

About 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 1482150) has the molecular formula C25H22F3N3O2S and a molecular weight of 485.53 g/mol. Its IUPAC name is 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID1482150
Molecular FormulaC25H22F3N3O2S
Molecular Weight485.53 g/mol
Exact Mass485.14
IUPAC Name4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C25H22F3N3O2S/c26-25(27,28)19-7-4-8-20(15-19)34(32,33)31-13-11-18(12-14-31)23-16-24(30-29-23)22-10-3-6-17-5-1-2-9-21(17)22/h1-10,15-16,18H,11-14H2,(H,29,30)
InChIKeyCKPQJTDKKIDMRJ-UHFFFAOYSA-N
XLogP5.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-({4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile
CID 71839616
4-({4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile
CID 71839615
1-(benzenesulfonyl)-4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 53165426
1-(4-chlorophenyl)sulfonyl-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 1482147
1-[(4-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 1482157
1-[(2-fluorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 1485690
5-(Benzenesulfonyl)-3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 26394140
1-(3,4-difluorophenyl)sulfonyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 42431305
5-(Benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42520267
3-(4-methyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 45235820
N-[5-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17870259
N-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17895800

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 1482150) is 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2cc(-c3cccc4ccccc34)n[nH]2)CC1.
What is the InChIKey of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is CKPQJTDKKIDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2S/c26-25(27,28)19-7-4-8-20(15-19)34(32,33)31-13-11-18(12-14-31)23-16-24(30-29-23)22-10-3-6-17-5-1-2-9-21(17)22/h1-10,15-16,18H,11-14H2,(H,29,30).
What are the key properties of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 485.53 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 1482150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).