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

C10H9FN4O2 — CID 90383366

IUPAC4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C10H9FN4O2/c1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyVNUHKPHXLLLJCF-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.02
Rot. Bonds2

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

4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383366) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90383366
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C10H9FN4O2/c1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyVNUHKPHXLLLJCF-UHFFFAOYSA-N
XLogP1.02
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 90383366) is 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is Cc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is VNUHKPHXLLLJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17/h3-4H,1-2H3,(H,16,17).
What are the key properties of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 236.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).