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

C18H23Cl2N3O — CID 54673485

IUPAC4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine
SMILESCc1cc(CCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O/c1-14-12-15(4-2-3-7-22-8-10-24-11-9-22)21-23(14)16-5-6-17(19)18(20)13-16/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyKKOAMYAYUVRHQG-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.14
Rot. Bonds6

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

4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine (PubChem CID 54673485) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine
PubChem CID54673485
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine
SMILESCc1cc(CCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O/c1-14-12-15(4-2-3-7-22-8-10-24-11-9-22)21-23(14)16-5-6-17(19)18(20)13-16/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyKKOAMYAYUVRHQG-UHFFFAOYSA-N
XLogP4.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine?
The IUPAC name of 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine (CID 54673485) is 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine is Cc1cc(CCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine?
The InChIKey is KKOAMYAYUVRHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-14-12-15(4-2-3-7-22-8-10-24-11-9-22)21-23(14)16-5-6-17(19)18(20)13-16/h5-6,12-13H,2-4,7-11H2,1H3.
What are the key properties of 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine?
4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine has a molecular weight of 368.31 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butyl]morpholine is sourced from PubChem (CID 54673485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).