4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine

C17H21Cl2N3O2 — CID 11617627

IUPAC4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine
SMILESClc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21/h3-5,7,13H,1-2,6,8-12H2
InChIKeyMANNXHNTCUQPLH-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.67
Rot. Bonds7

About 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine

4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine (PubChem CID 11617627) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine
PubChem CID11617627
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine
SMILESClc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21/h3-5,7,13H,1-2,6,8-12H2
InChIKeyMANNXHNTCUQPLH-UHFFFAOYSA-N
XLogP3.67
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.67
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-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine?
The IUPAC name of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine (CID 11617627) is 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine.
What is the SMILES notation for 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine?
The canonical SMILES for 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine is Clc1ccc(-n2ccc(OCCCCN3CCOCC3)n2)cc1Cl.
What is the InChIKey of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine?
The InChIKey is MANNXHNTCUQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21/h3-5,7,13H,1-2,6,8-12H2.
What are the key properties of 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine?
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine has a molecular weight of 370.28 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine is sourced from PubChem (CID 11617627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).