6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole

C18H19N3O — CID 45272065

IUPAC6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole
SMILESCCOCn1ccc2c1CCc1cnn(-c3ccccc3)c1-2
InChIInChI=1S/C18H19N3O/c1-2-22-13-20-11-10-16-17(20)9-8-14-12-19-21(18(14)16)15-6-4-3-5-7-15/h3-7,10-12H,2,8-9,13H2,1H3
InChIKeyLTTDYNPTIQZPIT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds4

About 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole

6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole (PubChem CID 45272065) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole.

Molecular Properties

Compound Name6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole
PubChem CID45272065
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole
SMILESCCOCn1ccc2c1CCc1cnn(-c3ccccc3)c1-2
InChIInChI=1S/C18H19N3O/c1-2-22-13-20-11-10-16-17(20)9-8-14-12-19-21(18(14)16)15-6-4-3-5-7-15/h3-7,10-12H,2,8-9,13H2,1H3
InChIKeyLTTDYNPTIQZPIT-UHFFFAOYSA-N
XLogP3.43
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole?
The IUPAC name of 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole (CID 45272065) is 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole.
What is the SMILES notation for 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole?
The canonical SMILES for 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole is CCOCn1ccc2c1CCc1cnn(-c3ccccc3)c1-2.
What is the InChIKey of 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole?
The InChIKey is LTTDYNPTIQZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-22-13-20-11-10-16-17(20)9-8-14-12-19-21(18(14)16)15-6-4-3-5-7-15/h3-7,10-12H,2,8-9,13H2,1H3.
What are the key properties of 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole?
6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole has a molecular weight of 293.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-1-phenyl-4,5-dihydropyrrolo[2,3-g]indazole is sourced from PubChem (CID 45272065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).