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

C7H8N4O2 — CID 89205854

IUPAC(5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc([C@@H]2NC(=O)NC2=O)cn1
InChIInChI=1S/C7H8N4O2/c1-11-3-4(2-8-11)5-6(12)10-7(13)9-5/h2-3,5H,1H3,(H2,9,10,12,13)/t5-/m0/s1
InChIKeyXWKRLOWQDSXWQH-YFKPBYRVSA-N
MW180.17 g/mol
LogP-0.70
Rot. Bonds1

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

(5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 89205854) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID89205854
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name(5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc([C@@H]2NC(=O)NC2=O)cn1
InChIInChI=1S/C7H8N4O2/c1-11-3-4(2-8-11)5-6(12)10-7(13)9-5/h2-3,5H,1H3,(H2,9,10,12,13)/t5-/m0/s1
InChIKeyXWKRLOWQDSXWQH-YFKPBYRVSA-N
XLogP-0.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
1-[3-(1-Methylpyrazol-4-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018138
5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71756617
5-ethyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71757084
N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 86284757
N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881
(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 164637325
N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 164639213
2-[4-[(1R)-1-aminoethyl]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 129320751
2-Amino-2-(1-methylpyrazol-4-yl)acetamide
CID 60795441

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 89205854) is (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is Cn1cc([C@@H]2NC(=O)NC2=O)cn1.
What is the InChIKey of (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is XWKRLOWQDSXWQH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-11-3-4(2-8-11)5-6(12)10-7(13)9-5/h2-3,5H,1H3,(H2,9,10,12,13)/t5-/m0/s1.
What are the key properties of (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
(5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 180.17 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 89205854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).