1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

C14H16N4O — CID 117394255

IUPAC1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-c3cnn(C)c3N)cc21
InChIInChI=1S/C14H16N4O/c1-9(19)18-6-5-10-3-4-11(7-13(10)18)12-8-16-17(2)14(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyRRVGTSCYDMAUAA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.58
Rot. Bonds1

About 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 117394255) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID117394255
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-c3cnn(C)c3N)cc21
InChIInChI=1S/C14H16N4O/c1-9(19)18-6-5-10-3-4-11(7-13(10)18)12-8-16-17(2)14(12)15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyRRVGTSCYDMAUAA-UHFFFAOYSA-N
XLogP1.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 65244298
5-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117380458
1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
CID 117492414
3-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362336
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
1-acetyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 172687576

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (CID 117394255) is 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(-c3cnn(C)c3N)cc21.
What is the InChIKey of 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RRVGTSCYDMAUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(19)18-6-5-10-3-4-11(7-13(10)18)12-8-16-17(2)14(12)15/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 117394255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).