N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C21H18N4O4 — CID 1124477

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O4/c1-13-18(21(29)25(23(13)2)14-8-4-3-5-9-14)22-17(26)12-24-19(27)15-10-6-7-11-16(15)20(24)28/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyDPQUTZDNTABFLX-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.72
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 1124477) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID1124477
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H18N4O4/c1-13-18(21(29)25(23(13)2)14-8-4-3-5-9-14)22-17(26)12-24-19(27)15-10-6-7-11-16(15)20(24)28/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyDPQUTZDNTABFLX-UHFFFAOYSA-N
XLogP1.72
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
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 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 1124477) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is DPQUTZDNTABFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-13-18(21(29)25(23(13)2)14-8-4-3-5-9-14)22-17(26)12-24-19(27)15-10-6-7-11-16(15)20(24)28/h3-11H,12H2,1-2H3,(H,22,26).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 1124477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).