4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

C26H35N3O6 — CID 3641591

IUPAC4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCCOC1OC(C(=O)N2CCOCC2)=CC(c2c(C)n(C)n(-c3ccccc3)c2=O)C1CCCO
InChIInChI=1S/C26H35N3O6/c1-4-34-26-20(11-8-14-30)21(17-22(35-26)24(31)28-12-15-33-16-13-28)23-18(2)27(3)29(25(23)32)19-9-6-5-7-10-19/h5-7,9-10,17,20-21,26,30H,4,8,11-16H2,1-3H3
InChIKeyOXTPHVBVALUOJG-UHFFFAOYSA-N
MW485.58 g/mol
LogP2.09
Rot. Bonds8

About 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 3641591) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID3641591
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCCOC1OC(C(=O)N2CCOCC2)=CC(c2c(C)n(C)n(-c3ccccc3)c2=O)C1CCCO
InChIInChI=1S/C26H35N3O6/c1-4-34-26-20(11-8-14-30)21(17-22(35-26)24(31)28-12-15-33-16-13-28)23-18(2)27(3)29(25(23)32)19-9-6-5-7-10-19/h5-7,9-10,17,20-21,26,30H,4,8,11-16H2,1-3H3
InChIKeyOXTPHVBVALUOJG-UHFFFAOYSA-N
XLogP2.09
TPSA95.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 3641591) is 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is CCOC1OC(C(=O)N2CCOCC2)=CC(c2c(C)n(C)n(-c3ccccc3)c2=O)C1CCCO.
What is the InChIKey of 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is OXTPHVBVALUOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-4-34-26-20(11-8-14-30)21(17-22(35-26)24(31)28-12-15-33-16-13-28)23-18(2)27(3)29(25(23)32)19-9-6-5-7-10-19/h5-7,9-10,17,20-21,26,30H,4,8,11-16H2,1-3H3.
What are the key properties of 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 485.58 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 3641591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).