5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C13H12Cl2N4O — CID 79349534

IUPAC5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(-n3cc(Cl)c(C)n3)c(Cl)cc21
InChIInChI=1S/C13H12Cl2N4O/c1-6-9(15)5-19(18-6)11-4-10-7(3-8(11)14)12(16-2)13(20)17-10/h3-5,12,16H,1-2H3,(H,17,20)
InChIKeyPSZHUQQSEOIMME-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79349534) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79349534
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(-n3cc(Cl)c(C)n3)c(Cl)cc21
InChIInChI=1S/C13H12Cl2N4O/c1-6-9(15)5-19(18-6)11-4-10-7(3-8(11)14)12(16-2)13(20)17-10/h3-5,12,16H,1-2H3,(H,17,20)
InChIKeyPSZHUQQSEOIMME-UHFFFAOYSA-N
XLogP2.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 79349534) is 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(-n3cc(Cl)c(C)n3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is PSZHUQQSEOIMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c1-6-9(15)5-19(18-6)11-4-10-7(3-8(11)14)12(16-2)13(20)17-10/h3-5,12,16H,1-2H3,(H,17,20).
What are the key properties of 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 311.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).