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

C8H7FN4O — CID 106515831

IUPAC5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCn1cc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C8H7FN4O/c1-13-4-5(2-11-13)7-6(9)3-10-8(14)12-7/h2-4H,1H3,(H,10,12,14)
InChIKeyWWAHWODYQDIULB-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.31
Rot. Bonds1

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

5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one (PubChem CID 106515831) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
PubChem CID106515831
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCn1cc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C8H7FN4O/c1-13-4-5(2-11-13)7-6(9)3-10-8(14)12-7/h2-4H,1H3,(H,10,12,14)
InChIKeyWWAHWODYQDIULB-UHFFFAOYSA-N
XLogP0.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.31
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
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)-5-fluoro-1H-pyrimidin-2-one
CID 106515902
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
6-(3-iodo-1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 70311086

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one (CID 106515831) is 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one is Cn1cc(-c2[nH]c(=O)ncc2F)cn1.
What is the InChIKey of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The InChIKey is WWAHWODYQDIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c1-13-4-5(2-11-13)7-6(9)3-10-8(14)12-7/h2-4H,1H3,(H,10,12,14).
What are the key properties of 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one has a molecular weight of 194.17 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106515831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).