4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

C21H25N3O2 — CID 71449814

IUPAC4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESCc1c(OCCN2CCOCC2)nn(-c2ccc3ccccc3c2)c1C
InChIInChI=1S/C21H25N3O2/c1-16-17(2)24(20-8-7-18-5-3-4-6-19(18)15-20)22-21(16)26-14-11-23-9-12-25-13-10-23/h3-8,15H,9-14H2,1-2H3
InChIKeyKAKHLTWJKWFVNT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.35
Rot. Bonds5

About 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (PubChem CID 71449814) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
PubChem CID71449814
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESCc1c(OCCN2CCOCC2)nn(-c2ccc3ccccc3c2)c1C
InChIInChI=1S/C21H25N3O2/c1-16-17(2)24(20-8-7-18-5-3-4-6-19(18)15-20)22-21(16)26-14-11-23-9-12-25-13-10-23/h3-8,15H,9-14H2,1-2H3
InChIKeyKAKHLTWJKWFVNT-UHFFFAOYSA-N
XLogP3.35
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 123557999
(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 52952977
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]piperidine
CID 11537339
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
CID 3070778
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (CID 71449814) is 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is Cc1c(OCCN2CCOCC2)nn(-c2ccc3ccccc3c2)c1C.
What is the InChIKey of 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The InChIKey is KAKHLTWJKWFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-17(2)24(20-8-7-18-5-3-4-6-19(18)15-20)22-21(16)26-14-11-23-9-12-25-13-10-23/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine has a molecular weight of 351.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 71449814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).