5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

C14H15BrN4O — CID 43749346

IUPAC5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(Cn1cccn1)NC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C14H15BrN4O/c1-9(8-19-6-2-5-16-19)17-13-11-7-10(15)3-4-12(11)18-14(13)20/h2-7,9,13,17H,8H2,1H3,(H,18,20)
InChIKeyDOGGWJBWZVSSQI-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.32
Rot. Bonds4

About 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one

5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43749346) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID43749346
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(Cn1cccn1)NC1C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C14H15BrN4O/c1-9(8-19-6-2-5-16-19)17-13-11-7-10(15)3-4-12(11)18-14(13)20/h2-7,9,13,17H,8H2,1H3,(H,18,20)
InChIKeyDOGGWJBWZVSSQI-UHFFFAOYSA-N
XLogP2.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9508334
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2-(6-bromo-2H-indazol-2-yl)-N-hydroxy-3-phenylpropanamide
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2-(5-bromo-1H-indazol-1-yl)-N-hydroxy-3-phenylpropanamide
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CID 20892310
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one
CID 39950213
3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one
CID 73392361
5-Bromo-1-butyl-N-(1-carbamoyl-2,2-dimethyl-propyl)indazole-3-carboxamide
CID 165362223
ADB-5'Br-4en-PINACA
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CID 53159842
(N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-bromo-1-decyl-1H-indazole-3-carboxamide
CID 168323131
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-(2-pyrazol-1-ylethylamino)propan-1-one
CID 53611486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one (CID 43749346) is 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is CC(Cn1cccn1)NC1C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is DOGGWJBWZVSSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9(8-19-6-2-5-16-19)17-13-11-7-10(15)3-4-12(11)18-14(13)20/h2-7,9,13,17H,8H2,1H3,(H,18,20).
What are the key properties of 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 335.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-pyrazol-1-ylpropan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43749346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).