5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one

C14H14BrN3O — CID 116856852

IUPAC5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
SMILESCc1nn(C)c(-c2ccc3c(c2)CC(=O)N3C)c1Br
InChIInChI=1S/C14H14BrN3O/c1-8-13(15)14(18(3)16-8)9-4-5-11-10(6-9)7-12(19)17(11)2/h4-6H,7H2,1-3H3
InChIKeyDRYPQXZWZPLUJH-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.68
Rot. Bonds1

About 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one

5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one (PubChem CID 116856852) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
PubChem CID116856852
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
SMILESCc1nn(C)c(-c2ccc3c(c2)CC(=O)N3C)c1Br
InChIInChI=1S/C14H14BrN3O/c1-8-13(15)14(18(3)16-8)9-4-5-11-10(6-9)7-12(19)17(11)2/h4-6H,7H2,1-3H3
InChIKeyDRYPQXZWZPLUJH-UHFFFAOYSA-N
XLogP2.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one
CID 116887881
5-[2-(aminomethyl)-5-bromo-1H-imidazol-4-yl]-1-methyl-3H-indol-2-one
CID 84604527
4-bromo-5-(1-methyl-2-oxo-3H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 116858067
2-methyl-4-(1-methyl-2-oxo-3H-indol-5-yl)-1H-imidazole-5-carboxylic acid
CID 82306063
5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
CID 82478357
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 82300289
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
CID 66794059
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one (CID 116856852) is 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one is Cc1nn(C)c(-c2ccc3c(c2)CC(=O)N3C)c1Br.
What is the InChIKey of 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one?
The InChIKey is DRYPQXZWZPLUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-13(15)14(18(3)16-8)9-4-5-11-10(6-9)7-12(19)17(11)2/h4-6H,7H2,1-3H3.
What are the key properties of 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one?
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one has a molecular weight of 320.19 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116856852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).