2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine

C25H30FN3O3 — CID 132767016

IUPAC2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
SMILESCOc1cc(C)ccc1CN1CCOC(c2cc(CCOc3ccccc3F)n(C)n2)C1
InChIInChI=1S/C25H30FN3O3/c1-18-8-9-19(24(14-18)30-3)16-29-11-13-32-25(17-29)22-15-20(28(2)27-22)10-12-31-23-7-5-4-6-21(23)26/h4-9,14-15,25H,10-13,16-17H2,1-3H3
InChIKeyYLYURDHQCFKRQK-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.07
Rot. Bonds8

About 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine

2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine (PubChem CID 132767016) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
PubChem CID132767016
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC Name2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
SMILESCOc1cc(C)ccc1CN1CCOC(c2cc(CCOc3ccccc3F)n(C)n2)C1
InChIInChI=1S/C25H30FN3O3/c1-18-8-9-19(24(14-18)30-3)16-29-11-13-32-25(17-29)22-15-20(28(2)27-22)10-12-31-23-7-5-4-6-21(23)26/h4-9,14-15,25H,10-13,16-17H2,1-3H3
InChIKeyYLYURDHQCFKRQK-UHFFFAOYSA-N
XLogP4.07
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine?
The IUPAC name of 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine (CID 132767016) is 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine is COc1cc(C)ccc1CN1CCOC(c2cc(CCOc3ccccc3F)n(C)n2)C1.
What is the InChIKey of 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine?
The InChIKey is YLYURDHQCFKRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-18-8-9-19(24(14-18)30-3)16-29-11-13-32-25(17-29)22-15-20(28(2)27-22)10-12-31-23-7-5-4-6-21(23)26/h4-9,14-15,25H,10-13,16-17H2,1-3H3.
What are the key properties of 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine?
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine has a molecular weight of 439.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 132767016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).