3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C18H20N4O4 — CID 168559042

IUPAC3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCc1c(COc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)cnn1C
InChIInChI=1S/C18H20N4O4/c1-12-13(10-19-21(12)2)11-26-15-5-3-14(4-6-15)20-16-9-17(24)22(7-8-23)18(16)25/h3-6,9-10,20,23H,7-8,11H2,1-2H3
InChIKeyLNEMQMXCZFCQEX-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.96
Rot. Bonds7

About 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168559042) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168559042
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCc1c(COc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)cnn1C
InChIInChI=1S/C18H20N4O4/c1-12-13(10-19-21(12)2)11-26-15-5-3-14(4-6-15)20-16-9-17(24)22(7-8-23)18(16)25/h3-6,9-10,20,23H,7-8,11H2,1-2H3
InChIKeyLNEMQMXCZFCQEX-UHFFFAOYSA-N
XLogP0.96
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione
CID 168558973
1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione
CID 168559299
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
4-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]benzoic acid
CID 168557232
2-[[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]methylidene]propanedinitrile
CID 168543561
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
methyl 2-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]pyridine-4-carboxylate
CID 168559044
3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
CID 16647751
3-[3-fluoro-4-(4-methylpyrazol-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559842

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168559042) is 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is Cc1c(COc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)cnn1C.
What is the InChIKey of 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is LNEMQMXCZFCQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-13(10-19-21(12)2)11-26-15-5-3-14(4-6-15)20-16-9-17(24)22(7-8-23)18(16)25/h3-6,9-10,20,23H,7-8,11H2,1-2H3.
What are the key properties of 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 356.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168559042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).