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

C17H21Cl2N3O2 — CID 71462356

IUPAC4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine
SMILESCc1cc(OCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2N3O2/c1-13-11-17(24-8-2-5-21-6-9-23-10-7-21)20-22(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,2,5-10H2,1H3
InChIKeyXGRBKTASRZCJDH-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.59
Rot. Bonds6

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

4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine (PubChem CID 71462356) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine
PubChem CID71462356
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine
SMILESCc1cc(OCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2N3O2/c1-13-11-17(24-8-2-5-21-6-9-23-10-7-21)20-22(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,2,5-10H2,1H3
InChIKeyXGRBKTASRZCJDH-UHFFFAOYSA-N
XLogP3.59
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine (CID 71462356) is 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine is Cc1cc(OCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine?
The InChIKey is XGRBKTASRZCJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-13-11-17(24-8-2-5-21-6-9-23-10-7-21)20-22(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine?
4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine has a molecular weight of 370.28 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]morpholine is sourced from PubChem (CID 71462356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).