4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine

C20H21N3O — CID 11301624

IUPAC4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
SMILESc1ccc(Oc2ccc(-c3cc(C4CCNCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C20H21N3O/c1-2-4-17(5-3-1)24-18-8-6-15(7-9-18)19-14-20(23-22-19)16-10-12-21-13-11-16/h1-9,14,16,21H,10-13H2,(H,22,23)
InChIKeyZUDFSSWEJQXWDE-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.34
Rot. Bonds4

About 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine

4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 11301624) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID11301624
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
SMILESc1ccc(Oc2ccc(-c3cc(C4CCNCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C20H21N3O/c1-2-4-17(5-3-1)24-18-8-6-15(7-9-18)19-14-20(23-22-19)16-10-12-21-13-11-16/h1-9,14,16,21H,10-13H2,(H,22,23)
InChIKeyZUDFSSWEJQXWDE-UHFFFAOYSA-N
XLogP4.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine (CID 11301624) is 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine is c1ccc(Oc2ccc(-c3cc(C4CCNCC4)[nH]n3)cc2)cc1.
What is the InChIKey of 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is ZUDFSSWEJQXWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-4-17(5-3-1)24-18-8-6-15(7-9-18)19-14-20(23-22-19)16-10-12-21-13-11-16/h1-9,14,16,21H,10-13H2,(H,22,23).
What are the key properties of 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine?
4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 319.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 11301624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).