1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine

C22H21F4N3 — CID 155567745

IUPAC1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
SMILESFc1ccc(-n2nc(CN3CCCCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H21F4N3/c23-18-8-10-20(11-9-18)29-21(16-4-6-17(7-5-16)22(24,25)26)14-19(27-29)15-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13,15H2
InChIKeyPGUVEPWTKGKTBE-UHFFFAOYSA-N
MW403.42 g/mol
LogP5.68
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine

1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine (PubChem CID 155567745) has the molecular formula C22H21F4N3 and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
PubChem CID155567745
Molecular FormulaC22H21F4N3
Molecular Weight403.42 g/mol
Exact Mass403.17
IUPAC Name1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine
SMILESFc1ccc(-n2nc(CN3CCCCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H21F4N3/c23-18-8-10-20(11-9-18)29-21(16-4-6-17(7-5-16)22(24,25)26)14-19(27-29)15-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13,15H2
InChIKeyPGUVEPWTKGKTBE-UHFFFAOYSA-N
XLogP5.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.42
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine (CID 155567745) is 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine is Fc1ccc(-n2nc(CN3CCCCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
The InChIKey is PGUVEPWTKGKTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3/c23-18-8-10-20(11-9-18)29-21(16-4-6-17(7-5-16)22(24,25)26)14-19(27-29)15-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13,15H2.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine?
1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine has a molecular weight of 403.42 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 155567745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).