1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol

C13H15N3O — CID 142700937

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol
SMILESCc1cc(N2CCc3ccc(O)cc32)n(C)n1
InChIInChI=1S/C13H15N3O/c1-9-7-13(15(2)14-9)16-6-5-10-3-4-11(17)8-12(10)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyOCRNXGLHNJFISB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.13
Rot. Bonds1

About 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol

1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol (PubChem CID 142700937) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol
PubChem CID142700937
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol
SMILESCc1cc(N2CCc3ccc(O)cc32)n(C)n1
InChIInChI=1S/C13H15N3O/c1-9-7-13(15(2)14-9)16-6-5-10-3-4-11(17)8-12(10)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyOCRNXGLHNJFISB-UHFFFAOYSA-N
XLogP2.13
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol (CID 142700937) is 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol is Cc1cc(N2CCc3ccc(O)cc32)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol?
The InChIKey is OCRNXGLHNJFISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-7-13(15(2)14-9)16-6-5-10-3-4-11(17)8-12(10)16/h3-4,7-8,17H,5-6H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol?
1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol has a molecular weight of 229.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroindol-6-ol is sourced from PubChem (CID 142700937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).