3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

C7H8N4O2 — CID 176672533

IUPAC3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cn[nH]c2)C1=O
InChIInChI=1S/C7H8N4O2/c1-10-6(12)4-11(7(10)13)5-2-8-9-3-5/h2-3H,4H2,1H3,(H,8,9)
InChIKeyBYOSSEJKIKQVIV-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.19
Rot. Bonds1

About 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 176672533) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID176672533
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cn[nH]c2)C1=O
InChIInChI=1S/C7H8N4O2/c1-10-6(12)4-11(7(10)13)5-2-8-9-3-5/h2-3H,4H2,1H3,(H,8,9)
InChIKeyBYOSSEJKIKQVIV-UHFFFAOYSA-N
XLogP-0.19
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.19
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 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (CID 176672533) is 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is CN1C(=O)CN(c2cn[nH]c2)C1=O.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is BYOSSEJKIKQVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-10-6(12)4-11(7(10)13)5-2-8-9-3-5/h2-3H,4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 180.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 176672533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).