(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

C6H6N4O2 — CID 89344273

IUPAC(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2cn[nH]c2)N1
InChIInChI=1S/C6H6N4O2/c11-5-4(9-6(12)10-5)3-1-7-8-2-3/h1-2,4H,(H,7,8)(H2,9,10,11,12)/t4-/m0/s1
InChIKeyTVYZAFUUUPPSBO-BYPYZUCNSA-N
MW166.14 g/mol
LogP-0.71
Rot. Bonds1

About (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione

(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 89344273) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID89344273
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2cn[nH]c2)N1
InChIInChI=1S/C6H6N4O2/c11-5-4(9-6(12)10-5)3-1-7-8-2-3/h1-2,4H,(H,7,8)(H2,9,10,11,12)/t4-/m0/s1
InChIKeyTVYZAFUUUPPSBO-BYPYZUCNSA-N
XLogP-0.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 68701992
(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 71031479
(5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 89205854
2-(1H-pyrazol-4-yl)-2-[(2-sulfanylacetyl)amino]acetamide
CID 143555883
2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 158189270
2-(2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 54896378
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54896918
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60999683
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61000167
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 61003628
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003965
1-(1H-pyrazol-4-ylmethyl)imidazolidine-2,4,5-trione
CID 61564327

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione (CID 89344273) is (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is O=C1NC(=O)[C@H](c2cn[nH]c2)N1.
What is the InChIKey of (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is TVYZAFUUUPPSBO-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-4(9-6(12)10-5)3-1-7-8-2-3/h1-2,4H,(H,7,8)(H2,9,10,11,12)/t4-/m0/s1.
What are the key properties of (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione?
(5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1H-pyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 89344273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).