5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one

C12H13N3O — CID 71601385

IUPAC5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN2CCc3ccccc32)[nH][nH]1
InChIInChI=1S/C12H13N3O/c16-12-7-10(13-14-12)8-15-6-5-9-3-1-2-4-11(9)15/h1-4,7H,5-6,8H2,(H2,13,14,16)
InChIKeySIXQJEJRQDGDDC-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.27
Rot. Bonds2

About 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one

5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one (PubChem CID 71601385) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one
PubChem CID71601385
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CN2CCc3ccccc32)[nH][nH]1
InChIInChI=1S/C12H13N3O/c16-12-7-10(13-14-12)8-15-6-5-9-3-1-2-4-11(9)15/h1-4,7H,5-6,8H2,(H2,13,14,16)
InChIKeySIXQJEJRQDGDDC-UHFFFAOYSA-N
XLogP1.27
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one (CID 71601385) is 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one is O=c1cc(CN2CCc3ccccc32)[nH][nH]1.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is SIXQJEJRQDGDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-7-10(13-14-12)8-15-6-5-9-3-1-2-4-11(9)15/h1-4,7H,5-6,8H2,(H2,13,14,16).
What are the key properties of 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one?
5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 215.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71601385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).