methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate

C15H11FN4O2 — CID 58302381

IUPACmethyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ccn(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H11FN4O2/c1-22-15(21)14-9-17-13(8-18-14)12-6-7-20(19-12)11-4-2-10(16)3-5-11/h2-9H,1H3
InChIKeyYYGQHXQXSUGGLD-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.26
Rot. Bonds3

About methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate

methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate (PubChem CID 58302381) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate
PubChem CID58302381
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Namemethyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ccn(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H11FN4O2/c1-22-15(21)14-9-17-13(8-18-14)12-6-7-20(19-12)11-4-2-10(16)3-5-11/h2-9H,1H3
InChIKeyYYGQHXQXSUGGLD-UHFFFAOYSA-N
XLogP2.26
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate (CID 58302381) is methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(-c2ccn(-c3ccc(F)cc3)n2)cn1.
What is the InChIKey of methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate?
The InChIKey is YYGQHXQXSUGGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c1-22-15(21)14-9-17-13(8-18-14)12-6-7-20(19-12)11-4-2-10(16)3-5-11/h2-9H,1H3.
What are the key properties of methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate?
methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate has a molecular weight of 298.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-fluorophenyl)pyrazol-3-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 58302381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).