1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one

C17H21N3O — CID 58213241

IUPAC1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one
SMILESCC(C)c1ccnn1-c1cccc2c1CC(=O)N2C(C)C
InChIInChI=1S/C17H21N3O/c1-11(2)14-8-9-18-20(14)16-7-5-6-15-13(16)10-17(21)19(15)12(3)4/h5-9,11-12H,10H2,1-4H3
InChIKeyLQBXWNOKMJGUCT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.29
Rot. Bonds3

About 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one

1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one (PubChem CID 58213241) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one
PubChem CID58213241
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one
SMILESCC(C)c1ccnn1-c1cccc2c1CC(=O)N2C(C)C
InChIInChI=1S/C17H21N3O/c1-11(2)14-8-9-18-20(14)16-7-5-6-15-13(16)10-17(21)19(15)12(3)4/h5-9,11-12H,10H2,1-4H3
InChIKeyLQBXWNOKMJGUCT-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one?
The IUPAC name of 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one (CID 58213241) is 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one.
What is the SMILES notation for 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one?
The canonical SMILES for 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one is CC(C)c1ccnn1-c1cccc2c1CC(=O)N2C(C)C.
What is the InChIKey of 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one?
The InChIKey is LQBXWNOKMJGUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)14-8-9-18-20(14)16-7-5-6-15-13(16)10-17(21)19(15)12(3)4/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one?
1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one has a molecular weight of 283.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(5-propan-2-ylpyrazol-1-yl)-3H-indol-2-one is sourced from PubChem (CID 58213241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).