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

C17H21Cl2N3O — CID 58514002

IUPAC4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine
SMILESCc1cc(CCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2N3O/c1-13-11-14(3-2-6-21-7-9-23-10-8-21)20-22(13)15-4-5-16(18)17(19)12-15/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyABPFXMWOQGUVCF-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.75
Rot. Bonds5

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

4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine (PubChem CID 58514002) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine
PubChem CID58514002
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC Name4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine
SMILESCc1cc(CCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2N3O/c1-13-11-14(3-2-6-21-7-9-23-10-8-21)20-22(13)15-4-5-16(18)17(19)12-15/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyABPFXMWOQGUVCF-UHFFFAOYSA-N
XLogP3.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine (CID 58514002) is 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine is Cc1cc(CCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine?
The InChIKey is ABPFXMWOQGUVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O/c1-13-11-14(3-2-6-21-7-9-23-10-8-21)20-22(13)15-4-5-16(18)17(19)12-15/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine?
4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine has a molecular weight of 354.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]propyl]morpholine is sourced from PubChem (CID 58514002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).