4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione

C15H15N3O2 — CID 61491550

IUPAC4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CCn1cccn1
InChIInChI=1S/C15H15N3O2/c1-10-4-5-11(2)13-12(10)14(19)15(20)18(13)9-8-17-7-3-6-16-17/h3-7H,8-9H2,1-2H3
InChIKeyIGVGNYOEPAVBOU-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.73
Rot. Bonds3

About 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione

4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione (PubChem CID 61491550) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
PubChem CID61491550
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CCn1cccn1
InChIInChI=1S/C15H15N3O2/c1-10-4-5-11(2)13-12(10)14(19)15(20)18(13)9-8-17-7-3-6-16-17/h3-7H,8-9H2,1-2H3
InChIKeyIGVGNYOEPAVBOU-UHFFFAOYSA-N
XLogP1.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-4,7-dimethylindole-2,3-dione
CID 61354837
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575
1-(2-pyrazol-1-ylethyl)pyrrole-2,5-dione
CID 61463085
4,7-dimethyl-1-pent-4-ynylindole-2,3-dione
CID 113374178
4,7-dimethyl-1-(4,4,4-trifluorobutyl)indole-2,3-dione
CID 115514292
4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 79263145
1-[2-(cyclopropylamino)ethyl]-4,7-dimethylindole-2,3-dione
CID 61388301
1-[(6-chloro-2-pyridinyl)methyl]-4,7-dimethylindole-2,3-dione
CID 79233346
N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
CID 62628305
4,7-dimethyl-1-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
CID 6079716
2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
CID 14662143
4-amino-2-(3-pyrazol-1-ylpropyl)isoindole-1,3-dione
CID 115582329

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
The IUPAC name of 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione (CID 61491550) is 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione is Cc1ccc(C)c2c1C(=O)C(=O)N2CCn1cccn1.
What is the InChIKey of 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
The InChIKey is IGVGNYOEPAVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-4-5-11(2)13-12(10)14(19)15(20)18(13)9-8-17-7-3-6-16-17/h3-7H,8-9H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione has a molecular weight of 269.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61491550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).