1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione

C18H17N5O3 — CID 146666722

IUPAC1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione
SMILESO=C1NCCCC1N1C(=O)C=C(Nc2cccc(-c3ccn[nH]3)c2)C1=O
InChIInChI=1S/C18H17N5O3/c24-16-10-14(18(26)23(16)15-5-2-7-19-17(15)25)21-12-4-1-3-11(9-12)13-6-8-20-22-13/h1,3-4,6,8-10,15,21H,2,5,7H2,(H,19,25)(H,20,22)
InChIKeyIJWHPWBRUHOJSM-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.02
Rot. Bonds4

About 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione

1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione (PubChem CID 146666722) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione
PubChem CID146666722
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione
SMILESO=C1NCCCC1N1C(=O)C=C(Nc2cccc(-c3ccn[nH]3)c2)C1=O
InChIInChI=1S/C18H17N5O3/c24-16-10-14(18(26)23(16)15-5-2-7-19-17(15)25)21-12-4-1-3-11(9-12)13-6-8-20-22-13/h1,3-4,6,8-10,15,21H,2,5,7H2,(H,19,25)(H,20,22)
InChIKeyIJWHPWBRUHOJSM-UHFFFAOYSA-N
XLogP1.02
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione (CID 146666722) is 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione is O=C1NCCCC1N1C(=O)C=C(Nc2cccc(-c3ccn[nH]3)c2)C1=O.
What is the InChIKey of 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione?
The InChIKey is IJWHPWBRUHOJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-16-10-14(18(26)23(16)15-5-2-7-19-17(15)25)21-12-4-1-3-11(9-12)13-6-8-20-22-13/h1,3-4,6,8-10,15,21H,2,5,7H2,(H,19,25)(H,20,22).
What are the key properties of 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione?
1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione has a molecular weight of 351.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopiperidin-3-yl)-3-[3-(1H-pyrazol-5-yl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 146666722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).