methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate

C11H11FN4O2 — CID 90383346

IUPACmethyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ncnc(C)c2F)cnn1C
InChIInChI=1S/C11H11FN4O2/c1-6-8(12)9(14-5-13-6)7-4-15-16(2)10(7)11(17)18-3/h4-5H,1-3H3
InChIKeyGUEGNJDHTRDAPN-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.11
Rot. Bonds2

About methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate

methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 90383346) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
PubChem CID90383346
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Namemethyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ncnc(C)c2F)cnn1C
InChIInChI=1S/C11H11FN4O2/c1-6-8(12)9(14-5-13-6)7-4-15-16(2)10(7)11(17)18-3/h4-5H,1-3H3
InChIKeyGUEGNJDHTRDAPN-UHFFFAOYSA-N
XLogP1.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate (CID 90383346) is methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2ncnc(C)c2F)cnn1C.
What is the InChIKey of methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is GUEGNJDHTRDAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-8(12)9(14-5-13-6)7-4-15-16(2)10(7)11(17)18-3/h4-5H,1-3H3.
What are the key properties of methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate?
methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).