5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione

C11H12N4O3 — CID 114250623

IUPAC5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCn1ccc(-n2c(=O)[nH]cc(C(C)=O)c2=O)n1
InChIInChI=1S/C11H12N4O3/c1-3-14-5-4-9(13-14)15-10(17)8(7(2)16)6-12-11(15)18/h4-6H,3H2,1-2H3,(H,12,18)
InChIKeyJIMOWCBCUCVFDQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.06
Rot. Bonds3

About 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 114250623) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID114250623
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCn1ccc(-n2c(=O)[nH]cc(C(C)=O)c2=O)n1
InChIInChI=1S/C11H12N4O3/c1-3-14-5-4-9(13-14)15-10(17)8(7(2)16)6-12-11(15)18/h4-6H,3H2,1-2H3,(H,12,18)
InChIKeyJIMOWCBCUCVFDQ-UHFFFAOYSA-N
XLogP-0.06
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione (CID 114250623) is 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione is CCn1ccc(-n2c(=O)[nH]cc(C(C)=O)c2=O)n1.
What is the InChIKey of 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is JIMOWCBCUCVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-3-14-5-4-9(13-14)15-10(17)8(7(2)16)6-12-11(15)18/h4-6H,3H2,1-2H3,(H,12,18).
What are the key properties of 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114250623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).