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

C9H9FN4O — CID 106515902

IUPAC6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one
SMILESCCn1cc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C9H9FN4O/c1-2-14-5-6(3-12-14)8-7(10)4-11-9(15)13-8/h3-5H,2H2,1H3,(H,11,13,15)
InChIKeyZAXQDMQIZZHXAA-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.79
Rot. Bonds2

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

6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one (PubChem CID 106515902) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one
PubChem CID106515902
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one
SMILESCCn1cc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C9H9FN4O/c1-2-14-5-6(3-12-14)8-7(10)4-11-9(15)13-8/h3-5H,2H2,1H3,(H,11,13,15)
InChIKeyZAXQDMQIZZHXAA-UHFFFAOYSA-N
XLogP0.79
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-iodo-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ol
CID 51034340
(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515831
6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515833
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515856
6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515903
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
CID 106515924
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515967
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515969
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515990
1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
CID 177039474
6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2,4-dione
CID 65711263

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one (CID 106515902) is 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one is CCn1cc(-c2[nH]c(=O)ncc2F)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is ZAXQDMQIZZHXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-2-14-5-6(3-12-14)8-7(10)4-11-9(15)13-8/h3-5H,2H2,1H3,(H,11,13,15).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one?
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 208.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 106515902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).