5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one

C15H18N4O — CID 43204486

IUPAC5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1c(C)nn(C)c1C)C(=O)N2
InChIInChI=1S/C15H18N4O/c1-8-5-6-12-11(7-8)14(15(20)16-12)17-13-9(2)18-19(4)10(13)3/h5-7,14,17H,1-4H3,(H,16,20)
InChIKeyJJBNBGUPODRBFW-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.45
Rot. Bonds2

About 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one

5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 43204486) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
PubChem CID43204486
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1c(C)nn(C)c1C)C(=O)N2
InChIInChI=1S/C15H18N4O/c1-8-5-6-12-11(7-8)14(15(20)16-12)17-13-9(2)18-19(4)10(13)3/h5-7,14,17H,1-4H3,(H,16,20)
InChIKeyJJBNBGUPODRBFW-UHFFFAOYSA-N
XLogP2.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one (CID 43204486) is 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1c(C)nn(C)c1C)C(=O)N2.
What is the InChIKey of 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is JJBNBGUPODRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-8-5-6-12-11(7-8)14(15(20)16-12)17-13-9(2)18-19(4)10(13)3/h5-7,14,17H,1-4H3,(H,16,20).
What are the key properties of 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 270.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43204486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).