[(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol

C13H16FN5O — CID 128979596

IUPAC[(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccn(-c2ccc(N3C[C@@H](F)C[C@H]3CO)nn2)n1
InChIInChI=1S/C13H16FN5O/c1-9-4-5-19(17-9)13-3-2-12(15-16-13)18-7-10(14)6-11(18)8-20/h2-5,10-11,20H,6-8H2,1H3/t10-,11-/m0/s1
InChIKeyCQKZWYJUSIFEQP-QWRGUYRKSA-N
MW277.30 g/mol
LogP0.88
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol (PubChem CID 128979596) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
PubChem CID128979596
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name[(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccn(-c2ccc(N3C[C@@H](F)C[C@H]3CO)nn2)n1
InChIInChI=1S/C13H16FN5O/c1-9-4-5-19(17-9)13-3-2-12(15-16-13)18-7-10(14)6-11(18)8-20/h2-5,10-11,20H,6-8H2,1H3/t10-,11-/m0/s1
InChIKeyCQKZWYJUSIFEQP-QWRGUYRKSA-N
XLogP0.88
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol (CID 128979596) is [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol is Cc1ccn(-c2ccc(N3C[C@@H](F)C[C@H]3CO)nn2)n1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
The InChIKey is CQKZWYJUSIFEQP-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-9-4-5-19(17-9)13-3-2-12(15-16-13)18-7-10(14)6-11(18)8-20/h2-5,10-11,20H,6-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol has a molecular weight of 277.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).