methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate

C9H7FN4O2 — CID 155195787

IUPACmethyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(F)cn2)nn1
InChIInChI=1S/C9H7FN4O2/c1-16-9(15)7-2-3-8(13-12-7)14-5-6(10)4-11-14/h2-5H,1H3
InChIKeyYSRTWPFOIZLJGJ-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.59
Rot. Bonds2

About methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate

methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate (PubChem CID 155195787) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate
PubChem CID155195787
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Namemethyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(F)cn2)nn1
InChIInChI=1S/C9H7FN4O2/c1-16-9(15)7-2-3-8(13-12-7)14-5-6(10)4-11-14/h2-5H,1H3
InChIKeyYSRTWPFOIZLJGJ-UHFFFAOYSA-N
XLogP0.59
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate (CID 155195787) is methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(-n2cc(F)cn2)nn1.
What is the InChIKey of methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate?
The InChIKey is YSRTWPFOIZLJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-16-9(15)7-2-3-8(13-12-7)14-5-6(10)4-11-14/h2-5H,1H3.
What are the key properties of methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate?
methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate has a molecular weight of 222.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluoropyrazol-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 155195787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).