4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine

C22H24FN3O — CID 72950286

IUPAC4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine
SMILESCC(Oc1cc(F)cc(-c2cnn(C3CCNCC3)c2)c1)c1ccccc1
InChIInChI=1S/C22H24FN3O/c1-16(17-5-3-2-4-6-17)27-22-12-18(11-20(23)13-22)19-14-25-26(15-19)21-7-9-24-10-8-21/h2-6,11-16,21,24H,7-10H2,1H3
InChIKeyZQOACMMQUOPXQK-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.75
Rot. Bonds5

About 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine

4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine (PubChem CID 72950286) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine
PubChem CID72950286
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine
SMILESCC(Oc1cc(F)cc(-c2cnn(C3CCNCC3)c2)c1)c1ccccc1
InChIInChI=1S/C22H24FN3O/c1-16(17-5-3-2-4-6-17)27-22-12-18(11-20(23)13-22)19-14-25-26(15-19)21-7-9-24-10-8-21/h2-6,11-16,21,24H,7-10H2,1H3
InChIKeyZQOACMMQUOPXQK-UHFFFAOYSA-N
XLogP4.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine (CID 72950286) is 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine is CC(Oc1cc(F)cc(-c2cnn(C3CCNCC3)c2)c1)c1ccccc1.
What is the InChIKey of 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine?
The InChIKey is ZQOACMMQUOPXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16(17-5-3-2-4-6-17)27-22-12-18(11-20(23)13-22)19-14-25-26(15-19)21-7-9-24-10-8-21/h2-6,11-16,21,24H,7-10H2,1H3.
What are the key properties of 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine?
4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine has a molecular weight of 365.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-5-(1-phenylethoxy)phenyl]pyrazol-1-yl]piperidine is sourced from PubChem (CID 72950286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).