1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid

C15H15N3O3 — CID 80562988

IUPAC1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCn2cccn2)c2ccccc21
InChIInChI=1S/C15H15N3O3/c19-14(6-9-17-8-3-7-16-17)18-10-12(15(20)21)11-4-1-2-5-13(11)18/h1-5,7-8,12H,6,9-10H2,(H,20,21)
InChIKeyOHKWDOXQGBAZEE-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.49
Rot. Bonds4

About 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid

1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80562988) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80562988
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCn2cccn2)c2ccccc21
InChIInChI=1S/C15H15N3O3/c19-14(6-9-17-8-3-7-16-17)18-10-12(15(20)21)11-4-1-2-5-13(11)18/h1-5,7-8,12H,6,9-10H2,(H,20,21)
InChIKeyOHKWDOXQGBAZEE-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid (CID 80562988) is 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)CCn2cccn2)c2ccccc21.
What is the InChIKey of 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is OHKWDOXQGBAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(6-9-17-8-3-7-16-17)18-10-12(15(20)21)11-4-1-2-5-13(11)18/h1-5,7-8,12H,6,9-10H2,(H,20,21).
What are the key properties of 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80562988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).