1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H13FN4O3 — CID 112672331

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCc1nn(C)cc1Cn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN4O3/c1-3-7-6(4-15(2)14-7)5-16-10(18)8(12)9(17)13-11(16)19/h4,18H,3,5H2,1-2H3,(H,13,17,19)
InChIKeyJHOSNZVGIFUKOI-UHFFFAOYSA-N
MW268.25 g/mol
LogP-0.27
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112672331) has the molecular formula C11H13FN4O3 and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112672331
Molecular FormulaC11H13FN4O3
Molecular Weight268.25 g/mol
Exact Mass268.10
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCc1nn(C)cc1Cn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN4O3/c1-3-7-6(4-15(2)14-7)5-16-10(18)8(12)9(17)13-11(16)19/h4,18H,3,5H2,1-2H3,(H,13,17,19)
InChIKeyJHOSNZVGIFUKOI-UHFFFAOYSA-N
XLogP-0.27
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione with MolForge

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Related Compounds

6-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 113404737
5-fluoro-6-hydroxy-1-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-dione
CID 112601304
5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941
2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115991774
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112601153
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 112670972
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 115990853
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112672331) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is CCc1nn(C)cc1Cn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is JHOSNZVGIFUKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3/c1-3-7-6(4-15(2)14-7)5-16-10(18)8(12)9(17)13-11(16)19/h4,18H,3,5H2,1-2H3,(H,13,17,19).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 268.25 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112672331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).