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

C17H19F4N3O2 — CID 141402721

IUPAC3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine
SMILESCCOc1cc(C2CNCC(c3ccc(OC(F)(F)F)c(F)c3)C2)[nH]n1
InChIInChI=1S/C17H19F4N3O2/c1-2-25-16-7-14(23-24-16)12-5-11(8-22-9-12)10-3-4-15(13(18)6-10)26-17(19,20)21/h3-4,6-7,11-12,22H,2,5,8-9H2,1H3,(H,23,24)
InChIKeyAAWXKAQWQASFHF-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.71
Rot. Bonds5

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

3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 141402721) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine
PubChem CID141402721
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC Name3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine
SMILESCCOc1cc(C2CNCC(c3ccc(OC(F)(F)F)c(F)c3)C2)[nH]n1
InChIInChI=1S/C17H19F4N3O2/c1-2-25-16-7-14(23-24-16)12-5-11(8-22-9-12)10-3-4-15(13(18)6-10)26-17(19,20)21/h3-4,6-7,11-12,22H,2,5,8-9H2,1H3,(H,23,24)
InChIKeyAAWXKAQWQASFHF-UHFFFAOYSA-N
XLogP3.71
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine (CID 141402721) is 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine is CCOc1cc(C2CNCC(c3ccc(OC(F)(F)F)c(F)c3)C2)[nH]n1.
What is the InChIKey of 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is AAWXKAQWQASFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c1-2-25-16-7-14(23-24-16)12-5-11(8-22-9-12)10-3-4-15(13(18)6-10)26-17(19,20)21/h3-4,6-7,11-12,22H,2,5,8-9H2,1H3,(H,23,24).
What are the key properties of 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine?
3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 373.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1H-pyrazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 141402721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).