N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide

C17H20N4O3S — CID 127926937

IUPACN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccnn2C2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C17H20N4O3S/c1-12-10-20(15-5-3-2-4-14(12)15)17(22)19-16-6-8-18-21(16)13-7-9-25(23,24)11-13/h2-6,8,12-13H,7,9-11H2,1H3,(H,19,22)
InChIKeyJQYOWELNLJPQAB-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.40
Rot. Bonds2

About N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide

N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 127926937) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID127926937
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccnn2C2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C17H20N4O3S/c1-12-10-20(15-5-3-2-4-14(12)15)17(22)19-16-6-8-18-21(16)13-7-9-25(23,24)11-13/h2-6,8,12-13H,7,9-11H2,1H3,(H,19,22)
InChIKeyJQYOWELNLJPQAB-UHFFFAOYSA-N
XLogP2.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide (CID 127926937) is N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide is CC1CN(C(=O)Nc2ccnn2C2CCS(=O)(=O)C2)c2ccccc21.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is JQYOWELNLJPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-10-20(15-5-3-2-4-14(12)15)17(22)19-16-6-8-18-21(16)13-7-9-25(23,24)11-13/h2-6,8,12-13H,7,9-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide?
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 127926937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).