(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

C13H20N4O3 — CID 164637325

IUPAC(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(CCN2C(=O)N[C@@](C)(COC)C2=O)cn1
InChIInChI=1S/C13H20N4O3/c1-4-16-8-10(7-14-16)5-6-17-11(18)13(2,9-20-3)15-12(17)19/h7-8H,4-6,9H2,1-3H3,(H,15,19)/t13-/m0/s1
InChIKeyDOJZTYQCZPLNQC-ZDUSSCGKSA-N
MW280.33 g/mol
LogP0.40
Rot. Bonds6

About (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 164637325) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
PubChem CID164637325
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(CCN2C(=O)N[C@@](C)(COC)C2=O)cn1
InChIInChI=1S/C13H20N4O3/c1-4-16-8-10(7-14-16)5-6-17-11(18)13(2,9-20-3)15-12(17)19/h7-8H,4-6,9H2,1-3H3,(H,15,19)/t13-/m0/s1
InChIKeyDOJZTYQCZPLNQC-ZDUSSCGKSA-N
XLogP0.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (CID 164637325) is (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is CCn1cc(CCN2C(=O)N[C@@](C)(COC)C2=O)cn1.
What is the InChIKey of (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is DOJZTYQCZPLNQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-16-8-10(7-14-16)5-6-17-11(18)13(2,9-20-3)15-12(17)19/h7-8H,4-6,9H2,1-3H3,(H,15,19)/t13-/m0/s1.
What are the key properties of (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 164637325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).