5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one

C11H13FN4O — CID 137005361

IUPAC5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCCCn1nccc1-c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C11H13FN4O/c1-3-6-16-8(4-5-13-16)10-14-7(2)9(12)11(17)15-10/h4-5H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyJUXIUEGSLOBZDQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.49
Rot. Bonds3

About 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137005361) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137005361
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCCCn1nccc1-c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C11H13FN4O/c1-3-6-16-8(4-5-13-16)10-14-7(2)9(12)11(17)15-10/h4-5H,3,6H2,1-2H3,(H,14,15,17)
InChIKeyJUXIUEGSLOBZDQ-UHFFFAOYSA-N
XLogP1.49
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136278326
1-methyl-3-(methyl((1-methyl-1H-pyrazol-5-yl)methyl)amino)pyrazin-2(1H)-one
CID 119103631
7-Methyl-4-oxo-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrido[1,2-a]pyrimidine-6-carboxamide
CID 122630850
2-(2,2,2-Trifluoroacetyl)pyrazole-3-carboximidamide
CID 174161239
4-[(2-methylpropylamino)methyl]-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 136238272
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292582
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 19294603
N-[(1-ethylpyrazol-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 19331103
1-(2-Propan-2-ylimino-1-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 53499250
2-[(2-methylpyrazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63001459
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 103732651

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137005361) is 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one is CCCn1nccc1-c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is JUXIUEGSLOBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-3-6-16-8(4-5-13-16)10-14-7(2)9(12)11(17)15-10/h4-5H,3,6H2,1-2H3,(H,14,15,17).
What are the key properties of 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 236.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).