(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

C25H31N3O3 — CID 124979333

IUPAC(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
SMILESCc1ccc(OCCN2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1
InChIInChI=1S/C25H31N3O3/c1-20-8-10-23(11-9-20)30-16-13-28-14-17-31-25(19-28)24-18-21(27(2)26-24)12-15-29-22-6-4-3-5-7-22/h3-11,18,25H,12-17,19H2,1-2H3/t25-/m0/s1
InChIKeyMAOINRZSELPYFL-VWLOTQADSA-N
MW421.54 g/mol
LogP3.80
Rot. Bonds9

About (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine (PubChem CID 124979333) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
PubChem CID124979333
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
SMILESCc1ccc(OCCN2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1
InChIInChI=1S/C25H31N3O3/c1-20-8-10-23(11-9-20)30-16-13-28-14-17-31-25(19-28)24-18-21(27(2)26-24)12-15-29-22-6-4-3-5-7-22/h3-11,18,25H,12-17,19H2,1-2H3/t25-/m0/s1
InChIKeyMAOINRZSELPYFL-VWLOTQADSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 125009809
2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 127248598
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 127248607
4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168580
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 125001302
2-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124948203
(2S)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 125016389
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280
2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 127248543

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
The IUPAC name of (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine (CID 124979333) is (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine.
What is the SMILES notation for (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
The canonical SMILES for (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine is Cc1ccc(OCCN2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1.
What is the InChIKey of (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
The InChIKey is MAOINRZSELPYFL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-20-8-10-23(11-9-20)30-16-13-28-14-17-31-25(19-28)24-18-21(27(2)26-24)12-15-29-22-6-4-3-5-7-22/h3-11,18,25H,12-17,19H2,1-2H3/t25-/m0/s1.
What are the key properties of (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine has a molecular weight of 421.54 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine is sourced from PubChem (CID 124979333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).