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

C10H11FN4O — CID 106515967

IUPAC5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCCCn1cc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C10H11FN4O/c1-2-3-15-6-7(4-13-15)9-8(11)5-12-10(16)14-9/h4-6H,2-3H2,1H3,(H,12,14,16)
InChIKeyXHFCOBUVMGJDEQ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.18
Rot. Bonds3

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

5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one (PubChem CID 106515967) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one
PubChem CID106515967
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCCCn1cc(-c2[nH]c(=O)ncc2F)cn1
InChIInChI=1S/C10H11FN4O/c1-2-3-15-6-7(4-13-15)9-8(11)5-12-10(16)14-9/h4-6H,2-3H2,1H3,(H,12,14,16)
InChIKeyXHFCOBUVMGJDEQ-UHFFFAOYSA-N
XLogP1.18
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.18
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)-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
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 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one (CID 106515967) is 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one is CCCn1cc(-c2[nH]c(=O)ncc2F)cn1.
What is the InChIKey of 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one?
The InChIKey is XHFCOBUVMGJDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-2-3-15-6-7(4-13-15)9-8(11)5-12-10(16)14-9/h4-6H,2-3H2,1H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one?
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one has a molecular weight of 222.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106515967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).