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

C6H6N4O2 — CID 67385083

IUPAC1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1CN(c2cn[nH]c2)C(=O)N1
InChIInChI=1S/C6H6N4O2/c11-5-3-10(6(12)9-5)4-1-7-8-2-4/h1-2H,3H2,(H,7,8)(H,9,11,12)
InChIKeyJFABRGGANWNGND-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.53
Rot. Bonds1

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

1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 67385083) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID67385083
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1CN(c2cn[nH]c2)C(=O)N1
InChIInChI=1S/C6H6N4O2/c11-5-3-10(6(12)9-5)4-1-7-8-2-4/h1-2H,3H2,(H,7,8)(H,9,11,12)
InChIKeyJFABRGGANWNGND-UHFFFAOYSA-N
XLogP-0.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337
1-methyl-3-(1H-pyrazol-4-yl)urea
CID 20784637
2-(dimethylamino)-N-(1H-pyrazol-4-yl)acetamide
CID 20784744
2-methyl-N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 20784753
N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 20784959
1,1-dimethyl-3-(1H-pyrazol-4-yl)urea
CID 22478018
2-(2,3-dihydrotetrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 58591104
3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 67385085

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (CID 67385083) is 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is O=C1CN(c2cn[nH]c2)C(=O)N1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is JFABRGGANWNGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-3-10(6(12)9-5)4-1-7-8-2-4/h1-2H,3H2,(H,7,8)(H,9,11,12).
What are the key properties of 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 67385083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).