4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine

C19H27N3O2 — CID 171763242

IUPAC4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine
SMILES[2H]C([2H])([2H])n1cc(Cc2ccccc2OCCN2CCOCC2)c(CC)n1
InChIInChI=1S/C19H27N3O2/c1-3-18-17(15-21(2)20-18)14-16-6-4-5-7-19(16)24-13-10-22-8-11-23-12-9-22/h4-7,15H,3,8-14H2,1-2H3/i2D3
InChIKeyLECITBFLQWASHV-BMSJAHLVSA-N
MW332.46 g/mol
LogP2.28
Rot. Bonds8

About 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine

4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine (PubChem CID 171763242) has the molecular formula C19H27N3O2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine
PubChem CID171763242
Molecular FormulaC19H27N3O2
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine
SMILES[2H]C([2H])([2H])n1cc(Cc2ccccc2OCCN2CCOCC2)c(CC)n1
InChIInChI=1S/C19H27N3O2/c1-3-18-17(15-21(2)20-18)14-16-6-4-5-7-19(16)24-13-10-22-8-11-23-12-9-22/h4-7,15H,3,8-14H2,1-2H3/i2D3
InChIKeyLECITBFLQWASHV-BMSJAHLVSA-N
XLogP2.28
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine (CID 171763242) is 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine is [2H]C([2H])([2H])n1cc(Cc2ccccc2OCCN2CCOCC2)c(CC)n1.
What is the InChIKey of 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine?
The InChIKey is LECITBFLQWASHV-BMSJAHLVSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-18-17(15-21(2)20-18)14-16-6-4-5-7-19(16)24-13-10-22-8-11-23-12-9-22/h4-7,15H,3,8-14H2,1-2H3/i2D3.
What are the key properties of 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine?
4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine has a molecular weight of 332.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 171763242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).