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

C10H12N4O3 — CID 70792406

IUPAC(5S)-5-[1-[(3S)-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-/m0/s1
InChIKeyHULBHPKXPCHGLA-YUMQZZPRSA-N
MW236.23 g/mol
LogP-0.28
Rot. Bonds2

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

(5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 70792406) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID70792406
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(5S)-5-[1-[(3S)-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-/m0/s1
InChIKeyHULBHPKXPCHGLA-YUMQZZPRSA-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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Related Compounds

5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71756617
(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 164637325
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 115290735
5-(1-Methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 116013184
2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 121718648
2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]acetamide
CID 121731377
5-(Aminomethyl)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 57594883
(5S)-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 70792405
(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
5-(1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 127264184
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 46992194

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 70792406) is (5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(3S)-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-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is HULBHPKXPCHGLA-YUMQZZPRSA-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-/m0/s1.
What are the key properties of (5S)-5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione?
(5S)-5-[1-[(3S)-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-[(3S)-oxolan-3-yl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 70792406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).