4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride

C22H26ClN3O3 — CID 3046909

IUPAC4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride
SMILESCOc1ccc(-n2cc(-c3ccccc3)c(OCCN3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-26-20-9-7-19(8-10-20)25-17-21(18-5-3-2-4-6-18)22(23-25)28-16-13-24-11-14-27-15-12-24;/h2-10,17H,11-16H2,1H3;1H
InChIKeyKOFGRKPLFYFJIQ-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.68
Rot. Bonds7

About 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride

4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride (PubChem CID 3046909) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride
PubChem CID3046909
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride
SMILESCOc1ccc(-n2cc(-c3ccccc3)c(OCCN3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-26-20-9-7-19(8-10-20)25-17-21(18-5-3-2-4-6-18)22(23-25)28-16-13-24-11-14-27-15-12-24;/h2-10,17H,11-16H2,1H3;1H
InChIKeyKOFGRKPLFYFJIQ-UHFFFAOYSA-N
XLogP3.68
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride (CID 3046909) is 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride is COc1ccc(-n2cc(-c3ccccc3)c(OCCN3CCOCC3)n2)cc1.Cl.
What is the InChIKey of 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The InChIKey is KOFGRKPLFYFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c1-26-20-9-7-19(8-10-20)25-17-21(18-5-3-2-4-6-18)22(23-25)28-16-13-24-11-14-27-15-12-24;/h2-10,17H,11-16H2,1H3;1H.
What are the key properties of 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-methoxyphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride is sourced from PubChem (CID 3046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).