(3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone

C17H20FN3O3 — CID 71878917

IUPAC(3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
SMILESCCOC1CCCN(C(=O)c2nn(-c3ccccc3F)cc2O)C1
InChIInChI=1S/C17H20FN3O3/c1-2-24-12-6-5-9-20(10-12)17(23)16-15(22)11-21(19-16)14-8-4-3-7-13(14)18/h3-4,7-8,11-12,22H,2,5-6,9-10H2,1H3
InChIKeyBXQPSQKFQTWKGT-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.36
Rot. Bonds4

About (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone

(3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone (PubChem CID 71878917) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
PubChem CID71878917
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
SMILESCCOC1CCCN(C(=O)c2nn(-c3ccccc3F)cc2O)C1
InChIInChI=1S/C17H20FN3O3/c1-2-24-12-6-5-9-20(10-12)17(23)16-15(22)11-21(19-16)14-8-4-3-7-13(14)18/h3-4,7-8,11-12,22H,2,5-6,9-10H2,1H3
InChIKeyBXQPSQKFQTWKGT-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone (CID 71878917) is (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone is CCOC1CCCN(C(=O)c2nn(-c3ccccc3F)cc2O)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
The InChIKey is BXQPSQKFQTWKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-2-24-12-6-5-9-20(10-12)17(23)16-15(22)11-21(19-16)14-8-4-3-7-13(14)18/h3-4,7-8,11-12,22H,2,5-6,9-10H2,1H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
(3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone has a molecular weight of 333.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone is sourced from PubChem (CID 71878917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).