4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine

C16H19N3O3 — CID 175750570

IUPAC4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine
SMILESCn1cc(-c2cc3c(c(N4CCOCC4)c2)OCCO3)cn1
InChIInChI=1S/C16H19N3O3/c1-18-11-13(10-17-18)12-8-14(19-2-4-20-5-3-19)16-15(9-12)21-6-7-22-16/h8-11H,2-7H2,1H3
InChIKeyACONQLXDODBNGW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.69
Rot. Bonds2

About 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine

4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine (PubChem CID 175750570) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine
PubChem CID175750570
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine
SMILESCn1cc(-c2cc3c(c(N4CCOCC4)c2)OCCO3)cn1
InChIInChI=1S/C16H19N3O3/c1-18-11-13(10-17-18)12-8-14(19-2-4-20-5-3-19)16-15(9-12)21-6-7-22-16/h8-11H,2-7H2,1H3
InChIKeyACONQLXDODBNGW-UHFFFAOYSA-N
XLogP1.69
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine?
The IUPAC name of 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine (CID 175750570) is 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine.
What is the SMILES notation for 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine?
The canonical SMILES for 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine is Cn1cc(-c2cc3c(c(N4CCOCC4)c2)OCCO3)cn1.
What is the InChIKey of 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine?
The InChIKey is ACONQLXDODBNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-11-13(10-17-18)12-8-14(19-2-4-20-5-3-19)16-15(9-12)21-6-7-22-16/h8-11H,2-7H2,1H3.
What are the key properties of 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine?
4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine has a molecular weight of 301.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine is sourced from PubChem (CID 175750570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).