methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate

C11H11FN4O3 — CID 90383348

IUPACmethyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(OC)ncc2F)cnn1C
InChIInChI=1S/C11H11FN4O3/c1-16-9(10(17)18-2)6(4-14-16)8-7(12)5-13-11(15-8)19-3/h4-5H,1-3H3
InChIKeyKALYBXALZYAVPM-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.81
Rot. Bonds3

About methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate

methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383348) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
PubChem CID90383348
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Namemethyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(OC)ncc2F)cnn1C
InChIInChI=1S/C11H11FN4O3/c1-16-9(10(17)18-2)6(4-14-16)8-7(12)5-13-11(15-8)19-3/h4-5H,1-3H3
InChIKeyKALYBXALZYAVPM-UHFFFAOYSA-N
XLogP0.81
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate (CID 90383348) is methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2nc(OC)ncc2F)cnn1C.
What is the InChIKey of methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is KALYBXALZYAVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-16-9(10(17)18-2)6(4-14-16)8-7(12)5-13-11(15-8)19-3/h4-5H,1-3H3.
What are the key properties of methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 266.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).