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

C6H6N4O2 — CID 67385085

IUPAC3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cn[nH]c1
InChIInChI=1S/C6H6N4O2/c11-5-3-7-6(12)10(5)4-1-8-9-2-4/h1-2H,3H2,(H,7,12)(H,8,9)
InChIKeyRRMMRHBYJZRYBA-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.53
Rot. Bonds1

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

3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 67385085) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID67385085
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1cn[nH]c1
InChIInChI=1S/C6H6N4O2/c11-5-3-7-6(12)10(5)4-1-8-9-2-4/h1-2H,3H2,(H,7,12)(H,8,9)
InChIKeyRRMMRHBYJZRYBA-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
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
2-(dimethylamino)-N-(1H-pyrazol-4-yl)acetamide
CID 20784744
N-(1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 20784959
1,1-dimethyl-3-(1H-pyrazol-4-yl)urea
CID 22478018
1-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 67385083
1,3-dimethyl-1-(1H-pyrazol-4-yl)urea
CID 67438777
1-(1H-pyrazol-4-yl)imidazolidin-2-one
CID 68784625
methyl N-[(2Z,4Z)-1-[2,4-dioxo-3-(1H-pyrazol-4-yl)imidazolidin-1-yl]hexa-2,4-dien-2-yl]methanimidate
CID 118075079
1,5,5-trimethyl-3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 123337139

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (CID 67385085) is 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is O=C1CNC(=O)N1c1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is RRMMRHBYJZRYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-3-7-6(12)10(5)4-1-8-9-2-4/h1-2H,3H2,(H,7,12)(H,8,9).
What are the key properties of 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
3-(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 3-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 67385085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).