7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione

C14H12FN3O2 — CID 61494575

IUPAC7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CCn1cccn1
InChIInChI=1S/C14H12FN3O2/c1-9-7-10-12(11(15)8-9)18(14(20)13(10)19)6-5-17-4-2-3-16-17/h2-4,7-8H,5-6H2,1H3
InChIKeyAALOCEBNKNHRDQ-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.56
Rot. Bonds3

About 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione

7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione (PubChem CID 61494575) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
PubChem CID61494575
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CCn1cccn1
InChIInChI=1S/C14H12FN3O2/c1-9-7-10-12(11(15)8-9)18(14(20)13(10)19)6-5-17-4-2-3-16-17/h2-4,7-8H,5-6H2,1H3
InChIKeyAALOCEBNKNHRDQ-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione (CID 61494575) is 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2CCn1cccn1.
What is the InChIKey of 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
The InChIKey is AALOCEBNKNHRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-9-7-10-12(11(15)8-9)18(14(20)13(10)19)6-5-17-4-2-3-16-17/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione?
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione has a molecular weight of 273.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61494575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).