4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione

C20H23N5O3 — CID 126464278

IUPAC4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione
SMILESCC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cnn(C)c2C)C3=O)CC1
InChIInChI=1S/C20H23N5O3/c1-13-15(11-21-22(13)3)12-25-19(27)16-5-4-6-17(18(16)20(25)28)24-9-7-23(8-10-24)14(2)26/h4-6,11H,7-10,12H2,1-3H3
InChIKeyLDPHCHNONFZLBR-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.19
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione

4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione (PubChem CID 126464278) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione
PubChem CID126464278
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione
SMILESCC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cnn(C)c2C)C3=O)CC1
InChIInChI=1S/C20H23N5O3/c1-13-15(11-21-22(13)3)12-25-19(27)16-5-4-6-17(18(16)20(25)28)24-9-7-23(8-10-24)14(2)26/h4-6,11H,7-10,12H2,1-3H3
InChIKeyLDPHCHNONFZLBR-UHFFFAOYSA-N
XLogP1.19
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione (CID 126464278) is 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione is CC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cnn(C)c2C)C3=O)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is LDPHCHNONFZLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-15(11-21-22(13)3)12-25-19(27)16-5-4-6-17(18(16)20(25)28)24-9-7-23(8-10-24)14(2)26/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 381.44 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 126464278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).