4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid

C10H9FN4O3 — CID 90383355

IUPAC4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C10H9FN4O3/c1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2/h3-4H,1-2H3,(H,16,17)
InChIKeyIZPCEPXCDRSVDF-UHFFFAOYSA-N
MW252.21 g/mol
LogP0.72
Rot. Bonds3

About 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid

4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383355) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90383355
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C10H9FN4O3/c1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2/h3-4H,1-2H3,(H,16,17)
InChIKeyIZPCEPXCDRSVDF-UHFFFAOYSA-N
XLogP0.72
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 90383355) is 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is IZPCEPXCDRSVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2/h3-4H,1-2H3,(H,16,17).
What are the key properties of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 252.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).