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

C14H15BrN4O — CID 43204518

IUPAC4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCc1nn(C)c(C)c1NC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C14H15BrN4O/c1-7-12(8(2)19(3)18-7)17-13-11-9(15)5-4-6-10(11)16-14(13)20/h4-6,13,17H,1-3H3,(H,16,20)
InChIKeyFBDRPVDHSLUMBC-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.90
Rot. Bonds2

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

4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 43204518) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
PubChem CID43204518
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
SMILESCc1nn(C)c(C)c1NC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C14H15BrN4O/c1-7-12(8(2)19(3)18-7)17-13-11-9(15)5-4-6-10(11)16-14(13)20/h4-6,13,17H,1-3H3,(H,16,20)
InChIKeyFBDRPVDHSLUMBC-UHFFFAOYSA-N
XLogP2.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one (CID 43204518) is 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one is Cc1nn(C)c(C)c1NC1C(=O)Nc2cccc(Br)c21.
What is the InChIKey of 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is FBDRPVDHSLUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-7-12(8(2)19(3)18-7)17-13-11-9(15)5-4-6-10(11)16-14(13)20/h4-6,13,17H,1-3H3,(H,16,20).
What are the key properties of 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one?
4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 335.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43204518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).