3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one

C14H16N4O — CID 63369234

IUPAC3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(-n3ccc(C)n3)ccc21
InChIInChI=1S/C14H16N4O/c1-3-15-13-11-5-4-10(8-12(11)16-14(13)19)18-7-6-9(2)17-18/h4-8,13,15H,3H2,1-2H3,(H,16,19)
InChIKeyFFKGVZHNPBFAID-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds3

About 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one

3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one (PubChem CID 63369234) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one
PubChem CID63369234
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(-n3ccc(C)n3)ccc21
InChIInChI=1S/C14H16N4O/c1-3-15-13-11-5-4-10(8-12(11)16-14(13)19)18-7-6-9(2)17-18/h4-8,13,15H,3H2,1-2H3,(H,16,19)
InChIKeyFFKGVZHNPBFAID-UHFFFAOYSA-N
XLogP1.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one (CID 63369234) is 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(-n3ccc(C)n3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is FFKGVZHNPBFAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-15-13-11-5-4-10(8-12(11)16-14(13)19)18-7-6-9(2)17-18/h4-8,13,15H,3H2,1-2H3,(H,16,19).
What are the key properties of 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(3-methylpyrazol-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).