ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate

C23H27N3O4 — CID 45189758

IUPACethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C23H27N3O4/c1-3-30-22(27)12-20-15-29-9-8-26(20)14-19-13-24-25-23(19)18-5-4-17-11-21(28-2)7-6-16(17)10-18/h4-7,10-11,13,20H,3,8-9,12,14-15H2,1-2H3,(H,24,25)
InChIKeyCAUIDQTUXAORGM-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.39
Rot. Bonds7

About ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate

ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate (PubChem CID 45189758) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate
PubChem CID45189758
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nameethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate
SMILESCCOC(=O)CC1COCCN1Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C23H27N3O4/c1-3-30-22(27)12-20-15-29-9-8-26(20)14-19-13-24-25-23(19)18-5-4-17-11-21(28-2)7-6-16(17)10-18/h4-7,10-11,13,20H,3,8-9,12,14-15H2,1-2H3,(H,24,25)
InChIKeyCAUIDQTUXAORGM-UHFFFAOYSA-N
XLogP3.39
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate (CID 45189758) is ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate is CCOC(=O)CC1COCCN1Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate?
The InChIKey is CAUIDQTUXAORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-30-22(27)12-20-15-29-9-8-26(20)14-19-13-24-25-23(19)18-5-4-17-11-21(28-2)7-6-16(17)10-18/h4-7,10-11,13,20H,3,8-9,12,14-15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate?
ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate has a molecular weight of 409.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate is sourced from PubChem (CID 45189758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).