2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine

C25H31N3O3 — CID 155983871

IUPAC2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
SMILESCOc1ccccc1OCCc1cc(C2CN(CCc3ccccc3)CCO2)nn1C
InChIInChI=1S/C25H31N3O3/c1-27-21(13-16-30-24-11-7-6-10-23(24)29-2)18-22(26-27)25-19-28(15-17-31-25)14-12-20-8-4-3-5-9-20/h3-11,18,25H,12-17,19H2,1-2H3
InChIKeyTYERXMYHORASKJ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.67
Rot. Bonds9

About 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine

2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine (PubChem CID 155983871) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
PubChem CID155983871
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
SMILESCOc1ccccc1OCCc1cc(C2CN(CCc3ccccc3)CCO2)nn1C
InChIInChI=1S/C25H31N3O3/c1-27-21(13-16-30-24-11-7-6-10-23(24)29-2)18-22(26-27)25-19-28(15-17-31-25)14-12-20-8-4-3-5-9-20/h3-11,18,25H,12-17,19H2,1-2H3
InChIKeyTYERXMYHORASKJ-UHFFFAOYSA-N
XLogP3.67
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124997779
2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 127248598
(2R)-4-(benzenesulfonyl)-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124991331
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 127248607
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 129403722
4-[2-(2-methoxyphenoxy)ethyl]-2-methylmorpholine
CID 47053041
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 125009809

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine?
The IUPAC name of 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine (CID 155983871) is 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine.
What is the SMILES notation for 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine?
The canonical SMILES for 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine is COc1ccccc1OCCc1cc(C2CN(CCc3ccccc3)CCO2)nn1C.
What is the InChIKey of 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine?
The InChIKey is TYERXMYHORASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-27-21(13-16-30-24-11-7-6-10-23(24)29-2)18-22(26-27)25-19-28(15-17-31-25)14-12-20-8-4-3-5-9-20/h3-11,18,25H,12-17,19H2,1-2H3.
What are the key properties of 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine?
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine has a molecular weight of 421.54 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine is sourced from PubChem (CID 155983871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).