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

C15H10FIN4O2 — CID 58302357

IUPACmethyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2I)cn1
InChIInChI=1S/C15H10FIN4O2/c1-23-15(22)13-7-18-12(6-19-13)14-11(17)8-21(20-14)10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyCXBVKHKUYGCIRT-UHFFFAOYSA-N
MW424.17 g/mol
LogP2.86
Rot. Bonds3

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

methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate (PubChem CID 58302357) has the molecular formula C15H10FIN4O2 and a molecular weight of 424.17 g/mol. Its IUPAC name is methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate
PubChem CID58302357
Molecular FormulaC15H10FIN4O2
Molecular Weight424.17 g/mol
Exact Mass423.98
IUPAC Namemethyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2I)cn1
InChIInChI=1S/C15H10FIN4O2/c1-23-15(22)13-7-18-12(6-19-13)14-11(17)8-21(20-14)10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyCXBVKHKUYGCIRT-UHFFFAOYSA-N
XLogP2.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate (CID 58302357) is methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2I)cn1.
What is the InChIKey of methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate?
The InChIKey is CXBVKHKUYGCIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN4O2/c1-23-15(22)13-7-18-12(6-19-13)14-11(17)8-21(20-14)10-4-2-9(16)3-5-10/h2-8H,1H3.
What are the key properties of methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate?
methyl 5-[1-(4-fluorophenyl)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate has a molecular weight of 424.17 g/mol, XLogP of 2.86, 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)-4-iodopyrazol-3-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 58302357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).