1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one

C14H17N3O — CID 113413211

IUPAC1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCn1cccn1
InChIInChI=1S/C14H17N3O/c18-14-5-1-4-13-12(14)6-11-16(13)8-3-10-17-9-2-7-15-17/h2,6-7,9,11H,1,3-5,8,10H2
InChIKeyHFMXSSMOVYHQEZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one

1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 113413211) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one
PubChem CID113413211
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCn1cccn1
InChIInChI=1S/C14H17N3O/c18-14-5-1-4-13-12(14)6-11-16(13)8-3-10-17-9-2-7-15-17/h2,6-7,9,11H,1,3-5,8,10H2
InChIKeyHFMXSSMOVYHQEZ-UHFFFAOYSA-N
XLogP2.29
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one (CID 113413211) is 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCn1cccn1.
What is the InChIKey of 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is HFMXSSMOVYHQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-5-1-4-13-12(14)6-11-16(13)8-3-10-17-9-2-7-15-17/h2,6-7,9,11H,1,3-5,8,10H2.
What are the key properties of 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one?
1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 243.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 113413211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).