1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one

C14H16N4O — CID 114455649

IUPAC1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2cccc(N)c21)n1cccn1
InChIInChI=1S/C14H16N4O/c1-10(18-8-3-7-16-18)14(19)17-9-6-11-4-2-5-12(15)13(11)17/h2-5,7-8,10H,6,9,15H2,1H3
InChIKeyDFWZBWDXAXSHPA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.62
Rot. Bonds2

About 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one

1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one (PubChem CID 114455649) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one
PubChem CID114455649
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2cccc(N)c21)n1cccn1
InChIInChI=1S/C14H16N4O/c1-10(18-8-3-7-16-18)14(19)17-9-6-11-4-2-5-12(15)13(11)17/h2-5,7-8,10H,6,9,15H2,1H3
InChIKeyDFWZBWDXAXSHPA-UHFFFAOYSA-N
XLogP1.62
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one (CID 114455649) is 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one is CC(C(=O)N1CCc2cccc(N)c21)n1cccn1.
What is the InChIKey of 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one?
The InChIKey is DFWZBWDXAXSHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(18-8-3-7-16-18)14(19)17-9-6-11-4-2-5-12(15)13(11)17/h2-5,7-8,10H,6,9,15H2,1H3.
What are the key properties of 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one?
1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one has a molecular weight of 256.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2,3-dihydroindol-1-yl)-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 114455649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).