4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine

C16H19Cl2N3O2 — CID 71449813

IUPAC4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)15-3-2-13(17)11-14(15)18/h2-3,10-11H,4-9H2,1H3
InChIKeyMAKSTWQPSPFHFW-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.20
Rot. Bonds5

About 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine

4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine (PubChem CID 71449813) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
PubChem CID71449813
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)15-3-2-13(17)11-14(15)18/h2-3,10-11H,4-9H2,1H3
InChIKeyMAKSTWQPSPFHFW-UHFFFAOYSA-N
XLogP3.20
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine (CID 71449813) is 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine is Cc1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
The InChIKey is MAKSTWQPSPFHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)15-3-2-13(17)11-14(15)18/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine?
4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine has a molecular weight of 356.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 71449813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).