2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

C10H11FN4O — CID 136677134

IUPAC2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCn1cc(-c2nc(C)c(F)c(=O)[nH]2)cn1
InChIInChI=1S/C10H11FN4O/c1-3-15-5-7(4-12-15)9-13-6(2)8(11)10(16)14-9/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeySOODNKPPVSGLMF-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.10
Rot. Bonds2

About 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136677134) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136677134
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCn1cc(-c2nc(C)c(F)c(=O)[nH]2)cn1
InChIInChI=1S/C10H11FN4O/c1-3-15-5-7(4-12-15)9-13-6(2)8(11)10(16)14-9/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeySOODNKPPVSGLMF-UHFFFAOYSA-N
XLogP1.10
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136677134) is 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCn1cc(-c2nc(C)c(F)c(=O)[nH]2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SOODNKPPVSGLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-3-15-5-7(4-12-15)9-13-6(2)8(11)10(16)14-9/h4-5H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 222.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136677134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).