ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

C24H35N3O2 — CID 123557999

IUPACethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESCC.CC.Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O2.2C2H6/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;2*1-2/h2-7,14-15H,8-13H2,1H3;2*1-2H3
InChIKeyIBMHNUBHPWGIKI-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.10
Rot. Bonds5

About ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (PubChem CID 123557999) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Nameethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
PubChem CID123557999
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Nameethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESCC.CC.Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O2.2C2H6/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;2*1-2/h2-7,14-15H,8-13H2,1H3;2*1-2H3
InChIKeyIBMHNUBHPWGIKI-UHFFFAOYSA-N
XLogP5.10
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The IUPAC name of ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (CID 123557999) is ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.
What is the SMILES notation for ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The canonical SMILES for ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is CC.CC.Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1.
What is the InChIKey of ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The InChIKey is IBMHNUBHPWGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.2C2H6/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;2*1-2/h2-7,14-15H,8-13H2,1H3;2*1-2H3.
What are the key properties of ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine has a molecular weight of 397.56 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 123557999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).