5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile

C11H8N4O3 — CID 12700902

IUPAC5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile
SMILESCC(=O)c1cc(O)c(=O)n(-c2[nH]ncc2C#N)c1
InChIInChI=1S/C11H8N4O3/c1-6(16)7-2-9(17)11(18)15(5-7)10-8(3-12)4-13-14-10/h2,4-5,17H,1H3,(H,13,14)
InChIKeyRIZRODTUKWIPDN-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.34
Rot. Bonds2

About 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile

5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile (PubChem CID 12700902) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile
PubChem CID12700902
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile
SMILESCC(=O)c1cc(O)c(=O)n(-c2[nH]ncc2C#N)c1
InChIInChI=1S/C11H8N4O3/c1-6(16)7-2-9(17)11(18)15(5-7)10-8(3-12)4-13-14-10/h2,4-5,17H,1H3,(H,13,14)
InChIKeyRIZRODTUKWIPDN-UHFFFAOYSA-N
XLogP0.34
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 79503209
5-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
CID 103500176
6-acetyl-1H-indazole-4-carbonitrile
CID 163708839
1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691504
5-(4-chloro-2-oxopyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
CID 168688855
5-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1H-pyrazole-4-carbonitrile
CID 114392264
N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
CID 110470623
5-ethyl-1H-pyrazole-4-carbonitrile
CID 82650960
2-acetyl-4-bromo-5-hydroxybenzonitrile
CID 171003376
methyl 3-amino-4-cyano-1-(5-hydroxy-1H-indazol-6-yl)pyrrole-2-carboxylate
CID 168548333
3-bromo-N-(4-cyano-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851534
5-acetyl-4-ethyl-2-hydroxybenzonitrile
CID 131349259

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile (CID 12700902) is 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile is CC(=O)c1cc(O)c(=O)n(-c2[nH]ncc2C#N)c1.
What is the InChIKey of 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is RIZRODTUKWIPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c1-6(16)7-2-9(17)11(18)15(5-7)10-8(3-12)4-13-14-10/h2,4-5,17H,1H3,(H,13,14).
What are the key properties of 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile?
5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 244.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetyl-3-hydroxy-2-oxo-1-pyridinyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 12700902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).