1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea

C17H19N5O3 — CID 126834804

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)n(C)n1
InChIInChI=1S/C17H19N5O3/c1-10-7-14(22(2)21-10)19-17(25)18-13-5-3-11(4-6-13)12-8-15(23)20-16(24)9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,25)(H,20,23,24)
InChIKeyMMEVBHODBQJLSW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.89
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea (PubChem CID 126834804) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea
PubChem CID126834804
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)n(C)n1
InChIInChI=1S/C17H19N5O3/c1-10-7-14(22(2)21-10)19-17(25)18-13-5-3-11(4-6-13)12-8-15(23)20-16(24)9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,25)(H,20,23,24)
InChIKeyMMEVBHODBQJLSW-UHFFFAOYSA-N
XLogP1.89
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.89
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-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea (CID 126834804) is 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea is Cc1cc(NC(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea?
The InChIKey is MMEVBHODBQJLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-7-14(22(2)21-10)19-17(25)18-13-5-3-11(4-6-13)12-8-15(23)20-16(24)9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,25)(H,20,23,24).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea has a molecular weight of 341.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea is sourced from PubChem (CID 126834804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).