3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine

C21H19ClF3N3O — CID 141329222

IUPAC3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CNCC(c3cc(-c4ccccc4Cl)n[nH]3)C2)cc1
InChIInChI=1S/C21H19ClF3N3O/c22-18-4-2-1-3-17(18)20-10-19(27-28-20)15-9-14(11-26-12-15)13-5-7-16(8-6-13)29-21(23,24)25/h1-8,10,14-15,26H,9,11-12H2,(H,27,28)
InChIKeyCOQGSLWWTMTQIP-UHFFFAOYSA-N
MW421.85 g/mol
LogP5.49
Rot. Bonds4

About 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine

3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 141329222) has the molecular formula C21H19ClF3N3O and a molecular weight of 421.85 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine
PubChem CID141329222
Molecular FormulaC21H19ClF3N3O
Molecular Weight421.85 g/mol
Exact Mass421.12
IUPAC Name3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CNCC(c3cc(-c4ccccc4Cl)n[nH]3)C2)cc1
InChIInChI=1S/C21H19ClF3N3O/c22-18-4-2-1-3-17(18)20-10-19(27-28-20)15-9-14(11-26-12-15)13-5-7-16(8-6-13)29-21(23,24)25/h1-8,10,14-15,26H,9,11-12H2,(H,27,28)
InChIKeyCOQGSLWWTMTQIP-UHFFFAOYSA-N
XLogP5.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.85
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 16195261
1-(2-chlorophenyl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16190269
4-{5-[4-(benzyloxy)phenyl]-1H-pyrazol-3-yl}piperidine
CID 13795334
4-[3-[(E)-2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1H-pyrazol-5-yl]piperidine
CID 44403289
4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 11301624
4-{5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-3-yl}piperidine
CID 13483224
2-(4-chlorophenyl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 28391685
1-(4-chlorophenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 45187755
5-(2-chloro-6-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole
CID 58195281
3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 118141941
3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine
CID 141241327

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine (CID 141329222) is 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine is FC(F)(F)Oc1ccc(C2CNCC(c3cc(-c4ccccc4Cl)n[nH]3)C2)cc1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is COQGSLWWTMTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O/c22-18-4-2-1-3-17(18)20-10-19(27-28-20)15-9-14(11-26-12-15)13-5-7-16(8-6-13)29-21(23,24)25/h1-8,10,14-15,26H,9,11-12H2,(H,27,28).
What are the key properties of 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine?
3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 421.85 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 141329222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).