3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol

C13H16FN3O2 — CID 162760426

IUPAC3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol
SMILESCC(O)C(C)n1nc(-c2ccc(F)cn2)cc1CO
InChIInChI=1S/C13H16FN3O2/c1-8(9(2)19)17-11(7-18)5-13(16-17)12-4-3-10(14)6-15-12/h3-6,8-9,18-19H,7H2,1-2H3
InChIKeyMUPROBBSPZKRLT-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.52
Rot. Bonds4

About 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol

3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol (PubChem CID 162760426) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol
PubChem CID162760426
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol
SMILESCC(O)C(C)n1nc(-c2ccc(F)cn2)cc1CO
InChIInChI=1S/C13H16FN3O2/c1-8(9(2)19)17-11(7-18)5-13(16-17)12-4-3-10(14)6-15-12/h3-6,8-9,18-19H,7H2,1-2H3
InChIKeyMUPROBBSPZKRLT-UHFFFAOYSA-N
XLogP1.52
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol (CID 162760426) is 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol is CC(O)C(C)n1nc(-c2ccc(F)cn2)cc1CO.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol?
The InChIKey is MUPROBBSPZKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8(9(2)19)17-11(7-18)5-13(16-17)12-4-3-10(14)6-15-12/h3-6,8-9,18-19H,7H2,1-2H3.
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol?
3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol has a molecular weight of 265.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 162760426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).