1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine

C24H26F3N3O — CID 67013609

IUPAC1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine
SMILESFC(F)(F)c1cccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)21-11-7-10-20(16-21)22-17-30(15-14-29-12-5-2-6-13-29)28-23(22)31-18-19-8-3-1-4-9-19/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2
InChIKeyMEDZVMPHKKHLGC-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.63
Rot. Bonds7

About 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine

1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine (PubChem CID 67013609) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine
PubChem CID67013609
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine
SMILESFC(F)(F)c1cccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)21-11-7-10-20(16-21)22-17-30(15-14-29-12-5-2-6-13-29)28-23(22)31-18-19-8-3-1-4-9-19/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2
InChIKeyMEDZVMPHKKHLGC-UHFFFAOYSA-N
XLogP5.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Piperidine, 1-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046905
Morpholine, 4-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046907
1-Propanamine, N,N-dimethyl-3-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-, monohydrochloride
CID 3046963
4-(4-Methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 4192922
3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 164631097
1-[2-[3-(Difluoromethoxy)-4-phenylpyrazol-1-yl]ethyl]piperidine
CID 11324694
4-[[3-(1-Methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 58993481
1-[2-[4-(3-Fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
CID 67013428
1-[2-[4-(2-Fluorophenyl)-3-phenylmethoxypyrazol-1-yl]ethyl]piperidine
CID 67013686
2-[4-[3-(4-fluorophenyl)phenyl]-3-phenylmethoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 67013699
3-[4-(4-Fluorophenyl)-3-phenylmethoxypyrazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 67014527
2-[4-[4-(4-fluorophenyl)phenyl]-3-phenylmethoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 67014555

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine (CID 67013609) is 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine is FC(F)(F)c1cccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1.
What is the InChIKey of 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine?
The InChIKey is MEDZVMPHKKHLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c25-24(26,27)21-11-7-10-20(16-21)22-17-30(15-14-29-12-5-2-6-13-29)28-23(22)31-18-19-8-3-1-4-9-19/h1,3-4,7-11,16-17H,2,5-6,12-15,18H2.
What are the key properties of 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine?
1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine has a molecular weight of 429.49 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 67013609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).