5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione

C16H19N5O2 — CID 75433608

IUPAC5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCn2nccc2-c2ccncc2)C1=O
InChIInChI=1S/C16H19N5O2/c1-16(2)14(22)20(15(23)19-16)10-3-11-21-13(6-9-18-21)12-4-7-17-8-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,23)
InChIKeyOLJKUWYOZKSYGT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.67
Rot. Bonds5

About 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 75433608) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID75433608
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCn2nccc2-c2ccncc2)C1=O
InChIInChI=1S/C16H19N5O2/c1-16(2)14(22)20(15(23)19-16)10-3-11-21-13(6-9-18-21)12-4-7-17-8-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,23)
InChIKeyOLJKUWYOZKSYGT-UHFFFAOYSA-N
XLogP1.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione (CID 75433608) is 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCn2nccc2-c2ccncc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is OLJKUWYOZKSYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-16(2)14(22)20(15(23)19-16)10-3-11-21-13(6-9-18-21)12-4-7-17-8-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,23).
What are the key properties of 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75433608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).