3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one

C8H10N4O — CID 103125244

IUPAC3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one
SMILESCCn1cc(-n2cc[nH]c2=O)cn1
InChIInChI=1S/C8H10N4O/c1-2-11-6-7(5-10-11)12-4-3-9-8(12)13/h3-6H,2H2,1H3,(H,9,13)
InChIKeyPZIBESSEMFWXOZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.38
Rot. Bonds2

About 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one

3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one (PubChem CID 103125244) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one
PubChem CID103125244
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one
SMILESCCn1cc(-n2cc[nH]c2=O)cn1
InChIInChI=1S/C8H10N4O/c1-2-11-6-7(5-10-11)12-4-3-9-8(12)13/h3-6H,2H2,1H3,(H,9,13)
InChIKeyPZIBESSEMFWXOZ-UHFFFAOYSA-N
XLogP0.38
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
CID 166356755
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CID 112599407
1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599405
1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64955046
5,5-diethyl-1-(1-ethylpyrazol-4-yl)-1,3-diazinane-2,4,6-trione
CID 115946872
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
CID 130486985
1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64961125
3-(1-ethylpyrazol-4-yl)-1H-pyrazin-2-one
CID 103571127
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-6-methylpiperazine-2,5-dione
CID 64961148
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64961091
3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64961099
2-(1-ethylpyrazol-4-yl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 90054677

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one (CID 103125244) is 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one is CCn1cc(-n2cc[nH]c2=O)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one?
The InChIKey is PZIBESSEMFWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-11-6-7(5-10-11)12-4-3-9-8(12)13/h3-6H,2H2,1H3,(H,9,13).
What are the key properties of 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one?
3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one has a molecular weight of 178.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103125244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).