4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine

C20H21N3OS — CID 69202365

IUPAC4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine
SMILESCc1cc2c(cc1CN1CCOCC1)-c1[nH]nc(-c3ccsc3)c1C2
InChIInChI=1S/C20H21N3OS/c1-13-8-15-9-18-19(14-2-7-25-12-14)21-22-20(18)17(15)10-16(13)11-23-3-5-24-6-4-23/h2,7-8,10,12H,3-6,9,11H2,1H3,(H,21,22)
InChIKeyLDUQCMMTIQPREX-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.85
Rot. Bonds3

About 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine

4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine (PubChem CID 69202365) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine
PubChem CID69202365
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine
SMILESCc1cc2c(cc1CN1CCOCC1)-c1[nH]nc(-c3ccsc3)c1C2
InChIInChI=1S/C20H21N3OS/c1-13-8-15-9-18-19(14-2-7-25-12-14)21-22-20(18)17(15)10-16(13)11-23-3-5-24-6-4-23/h2,7-8,10,12H,3-6,9,11H2,1H3,(H,21,22)
InChIKeyLDUQCMMTIQPREX-UHFFFAOYSA-N
XLogP3.85
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine?
The IUPAC name of 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine (CID 69202365) is 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine is Cc1cc2c(cc1CN1CCOCC1)-c1[nH]nc(-c3ccsc3)c1C2.
What is the InChIKey of 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine?
The InChIKey is LDUQCMMTIQPREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13-8-15-9-18-19(14-2-7-25-12-14)21-22-20(18)17(15)10-16(13)11-23-3-5-24-6-4-23/h2,7-8,10,12H,3-6,9,11H2,1H3,(H,21,22).
What are the key properties of 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine?
4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine has a molecular weight of 351.48 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine is sourced from PubChem (CID 69202365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).