3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione

C19H20N4O3 — CID 22728601

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1nn(-c2ccccc2)c(C)c1C1=C(N2CCOCC2)C(=O)NC1=O
InChIInChI=1S/C19H20N4O3/c1-12-15(13(2)23(21-12)14-6-4-3-5-7-14)16-17(19(25)20-18(16)24)22-8-10-26-11-9-22/h3-7H,8-11H2,1-2H3,(H,20,24,25)
InChIKeyUHHHKULDTKQOBL-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.19
Rot. Bonds3

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 22728601) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID22728601
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1nn(-c2ccccc2)c(C)c1C1=C(N2CCOCC2)C(=O)NC1=O
InChIInChI=1S/C19H20N4O3/c1-12-15(13(2)23(21-12)14-6-4-3-5-7-14)16-17(19(25)20-18(16)24)22-8-10-26-11-9-22/h3-7H,8-11H2,1-2H3,(H,20,24,25)
InChIKeyUHHHKULDTKQOBL-UHFFFAOYSA-N
XLogP1.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.19
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 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 22728601) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione is Cc1nn(-c2ccccc2)c(C)c1C1=C(N2CCOCC2)C(=O)NC1=O.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is UHHHKULDTKQOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-15(13(2)23(21-12)14-6-4-3-5-7-14)16-17(19(25)20-18(16)24)22-8-10-26-11-9-22/h3-7H,8-11H2,1-2H3,(H,20,24,25).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 352.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 22728601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).