(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione

C10H12N4O3 — CID 70792405

IUPAC(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2cnn([C@@H]3CCOC3)c2)N1
InChIInChI=1S/C10H12N4O3/c15-9-8(12-10(16)13-9)6-3-11-14(4-6)7-1-2-17-5-7/h3-4,7-8H,1-2,5H2,(H2,12,13,15,16)/t7-,8+/m1/s1
InChIKeyHULBHPKXPCHGLA-SFYZADRCSA-N
MW236.23 g/mol
LogP-0.28
Rot. Bonds2

About (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione

(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 70792405) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID70792405
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2cnn([C@@H]3CCOC3)c2)N1
InChIInChI=1S/C10H12N4O3/c15-9-8(12-10(16)13-9)6-3-11-14(4-6)7-1-2-17-5-7/h3-4,7-8H,1-2,5H2,(H2,12,13,15,16)/t7-,8+/m1/s1
InChIKeyHULBHPKXPCHGLA-SFYZADRCSA-N
XLogP-0.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 70792405) is (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](c2cnn([C@@H]3CCOC3)c2)N1.
What is the InChIKey of (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is HULBHPKXPCHGLA-SFYZADRCSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-9-8(12-10(16)13-9)6-3-11-14(4-6)7-1-2-17-5-7/h3-4,7-8H,1-2,5H2,(H2,12,13,15,16)/t7-,8+/m1/s1.
What are the key properties of (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 70792405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).