1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione

C11H16N4O2 — CID 99781571

IUPAC1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(Cc2ccn[nH]2)C1=O
InChIInChI=1S/C11H16N4O2/c1-8(2)5-14-7-10(16)15(11(14)17)6-9-3-4-12-13-9/h3-4,8H,5-7H2,1-2H3,(H,12,13)
InChIKeyBXSSRBAXWKHXID-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.83
Rot. Bonds4

About 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione

1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 99781571) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID99781571
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CN1CC(=O)N(Cc2ccn[nH]2)C1=O
InChIInChI=1S/C11H16N4O2/c1-8(2)5-14-7-10(16)15(11(14)17)6-9-3-4-12-13-9/h3-4,8H,5-7H2,1-2H3,(H,12,13)
InChIKeyBXSSRBAXWKHXID-UHFFFAOYSA-N
XLogP0.83
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione (CID 99781571) is 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione is CC(C)CN1CC(=O)N(Cc2ccn[nH]2)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BXSSRBAXWKHXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(2)5-14-7-10(16)15(11(14)17)6-9-3-4-12-13-9/h3-4,8H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione?
1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(1H-pyrazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 99781571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).