4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide

C9H11FN4O — CID 76652328

IUPAC4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnn1)C1CC(F)CN1
InChIInChI=1S/C9H11FN4O/c10-6-4-7(11-5-6)9(15)13-8-2-1-3-12-14-8/h1-3,6-7,11H,4-5H2,(H,13,14,15)
InChIKeyCHCWYWFQJIHUMK-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.12
Rot. Bonds2

About 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide

4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide (PubChem CID 76652328) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide
PubChem CID76652328
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnn1)C1CC(F)CN1
InChIInChI=1S/C9H11FN4O/c10-6-4-7(11-5-6)9(15)13-8-2-1-3-12-14-8/h1-3,6-7,11H,4-5H2,(H,13,14,15)
InChIKeyCHCWYWFQJIHUMK-UHFFFAOYSA-N
XLogP0.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide (CID 76652328) is 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnn1)C1CC(F)CN1.
What is the InChIKey of 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is CHCWYWFQJIHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c10-6-4-7(11-5-6)9(15)13-8-2-1-3-12-14-8/h1-3,6-7,11H,4-5H2,(H,13,14,15).
What are the key properties of 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide?
4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 210.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyridazin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 76652328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).