[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone

C15H16FN3O2 — CID 97186074

IUPAC[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCCCC1
InChIInChI=1S/C15H16FN3O2/c16-11-6-2-3-7-12(11)19-10-13(20)14(17-19)15(21)18-8-4-1-5-9-18/h2-3,6-7,10,20H,1,4-5,8-9H2
InChIKeyJNJLOMCYXHZIOO-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.34
Rot. Bonds2

About [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone

[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 97186074) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID97186074
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCCCC1
InChIInChI=1S/C15H16FN3O2/c16-11-6-2-3-7-12(11)19-10-13(20)14(17-19)15(21)18-8-4-1-5-9-18/h2-3,6-7,10,20H,1,4-5,8-9H2
InChIKeyJNJLOMCYXHZIOO-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone (CID 97186074) is [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone is O=C(c1nn(-c2ccccc2F)cc1O)N1CCCCC1.
What is the InChIKey of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JNJLOMCYXHZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-6-2-3-7-12(11)19-10-13(20)14(17-19)15(21)18-8-4-1-5-9-18/h2-3,6-7,10,20H,1,4-5,8-9H2.
What are the key properties of [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 289.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97186074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).