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

C19H23N3OS — CID 67142980

IUPAC4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine
SMILESCc1cc(CCCN2CCOCC2)nn1-c1csc2ccccc12
InChIInChI=1S/C19H23N3OS/c1-15-13-16(5-4-8-21-9-11-23-12-10-21)20-22(15)18-14-24-19-7-3-2-6-17(18)19/h2-3,6-7,13-14H,4-5,8-12H2,1H3
InChIKeyXAFBPMMXMNLTMA-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.66
Rot. Bonds5

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

4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine (PubChem CID 67142980) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine
PubChem CID67142980
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine
SMILESCc1cc(CCCN2CCOCC2)nn1-c1csc2ccccc12
InChIInChI=1S/C19H23N3OS/c1-15-13-16(5-4-8-21-9-11-23-12-10-21)20-22(15)18-14-24-19-7-3-2-6-17(18)19/h2-3,6-7,13-14H,4-5,8-12H2,1H3
InChIKeyXAFBPMMXMNLTMA-UHFFFAOYSA-N
XLogP3.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine (CID 67142980) is 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine is Cc1cc(CCCN2CCOCC2)nn1-c1csc2ccccc12.
What is the InChIKey of 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine?
The InChIKey is XAFBPMMXMNLTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-15-13-16(5-4-8-21-9-11-23-12-10-21)20-22(15)18-14-24-19-7-3-2-6-17(18)19/h2-3,6-7,13-14H,4-5,8-12H2,1H3.
What are the key properties of 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine?
4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine has a molecular weight of 341.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(1-benzothiophen-3-yl)-5-methylpyrazol-3-yl]propyl]morpholine is sourced from PubChem (CID 67142980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).