5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C13H9N5O2 — CID 143990849

IUPAC5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#Cc2cncc(-c3cn[nH]c3)c2)N1
InChIInChI=1S/C13H9N5O2/c19-12-11(17-13(20)18-12)2-1-8-3-9(5-14-4-8)10-6-15-16-7-10/h3-7,11H,(H,15,16)(H2,17,18,19,20)
InChIKeyPQQHVIXKAMRTJF-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.03
Rot. Bonds1

About 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 143990849) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID143990849
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#Cc2cncc(-c3cn[nH]c3)c2)N1
InChIInChI=1S/C13H9N5O2/c19-12-11(17-13(20)18-12)2-1-8-3-9(5-14-4-8)10-6-15-16-7-10/h3-7,11H,(H,15,16)(H2,17,18,19,20)
InChIKeyPQQHVIXKAMRTJF-UHFFFAOYSA-N
XLogP0.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 133269175
5-(2-Pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione
CID 70312486
(5S)-5-[2-[2-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 70889779
5,5-dimethyl-3-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 144241721
N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide
CID 167074891
N-ethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778251
N-propyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43781298
N-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 53498327
3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525598
1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidine-2,5-dione
CID 65687221
2-oxo-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)imidazolidine-4-carboxamide
CID 71877485
5,5-Dimethyl-3-[3-(5-pyridin-4-ylpyrazol-1-yl)propyl]imidazolidine-2,4-dione
CID 75433608

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 143990849) is 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is O=C1NC(=O)C(C#Cc2cncc(-c3cn[nH]c3)c2)N1.
What is the InChIKey of 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is PQQHVIXKAMRTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-12-11(17-13(20)18-12)2-1-8-3-9(5-14-4-8)10-6-15-16-7-10/h3-7,11H,(H,15,16)(H2,17,18,19,20).
What are the key properties of 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 267.25 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143990849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).