3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine

C21H19F4N3O — CID 141329197

IUPAC3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFc1ccc(-c2cc(C3CNCC(c4ccc(OC(F)(F)F)cc4)C3)[nH]n2)cc1
InChIInChI=1S/C21H19F4N3O/c22-17-5-1-14(2-6-17)19-10-20(28-27-19)16-9-15(11-26-12-16)13-3-7-18(8-4-13)29-21(23,24)25/h1-8,10,15-16,26H,9,11-12H2,(H,27,28)
InChIKeyNHGWSVYQFSKWRB-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.98
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 141329197) has the molecular formula C21H19F4N3O and a molecular weight of 405.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine
PubChem CID141329197
Molecular FormulaC21H19F4N3O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFc1ccc(-c2cc(C3CNCC(c4ccc(OC(F)(F)F)cc4)C3)[nH]n2)cc1
InChIInChI=1S/C21H19F4N3O/c22-17-5-1-14(2-6-17)19-10-20(28-27-19)16-9-15(11-26-12-16)13-3-7-18(8-4-13)29-21(23,24)25/h1-8,10,15-16,26H,9,11-12H2,(H,27,28)
InChIKeyNHGWSVYQFSKWRB-UHFFFAOYSA-N
XLogP4.98
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine (CID 141329197) is 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine is Fc1ccc(-c2cc(C3CNCC(c4ccc(OC(F)(F)F)cc4)C3)[nH]n2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is NHGWSVYQFSKWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O/c22-17-5-1-14(2-6-17)19-10-20(28-27-19)16-9-15(11-26-12-16)13-3-7-18(8-4-13)29-21(23,24)25/h1-8,10,15-16,26H,9,11-12H2,(H,27,28).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 405.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 141329197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).