5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one

C17H19N3O — CID 144999746

IUPAC5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
SMILESCC1(C)CCc2c(-c3ccc4c(c3)CNC4=O)n[nH]c2C1
InChIInChI=1S/C17H19N3O/c1-17(2)6-5-13-14(8-17)19-20-15(13)10-3-4-12-11(7-10)9-18-16(12)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPUJXDCNLFHYOIT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.84
Rot. Bonds1

About 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one

5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 144999746) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID144999746
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
SMILESCC1(C)CCc2c(-c3ccc4c(c3)CNC4=O)n[nH]c2C1
InChIInChI=1S/C17H19N3O/c1-17(2)6-5-13-14(8-17)19-20-15(13)10-3-4-12-11(7-10)9-18-16(12)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPUJXDCNLFHYOIT-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
N-[(2R)-butan-2-yl]-4-[[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]benzamide;methanol
CID 145000552
1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
CID 144999837
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
CID 145000696
N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 144999809
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
CID 145000491
6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 144999961
4-[5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 46239740
5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one
CID 145000363
4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 144999590
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-2-carboxamide
CID 145000530
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 144999777

Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one (CID 144999746) is 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one is CC1(C)CCc2c(-c3ccc4c(c3)CNC4=O)n[nH]c2C1.
What is the InChIKey of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is PUJXDCNLFHYOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2)6-5-13-14(8-17)19-20-15(13)10-3-4-12-11(7-10)9-18-16(12)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one?
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 281.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 144999746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).