(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

C21H26FN3O2 — CID 70773171

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c22-17-8-6-16(7-9-17)21(27)10-12-25(13-11-21)20(26)18-14-23-24-19(18)15-4-2-1-3-5-15/h6-9,14-15,27H,1-5,10-13H2,(H,23,24)
InChIKeyAUDARHGNYXMXMX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.72
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 70773171) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID70773171
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c22-17-8-6-16(7-9-17)21(27)10-12-25(13-11-21)20(26)18-14-23-24-19(18)15-4-2-1-3-5-15/h6-9,14-15,27H,1-5,10-13H2,(H,23,24)
InChIKeyAUDARHGNYXMXMX-UHFFFAOYSA-N
XLogP3.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 70773171) is (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is AUDARHGNYXMXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-17-8-6-16(7-9-17)21(27)10-12-25(13-11-21)20(26)18-14-23-24-19(18)15-4-2-1-3-5-15/h6-9,14-15,27H,1-5,10-13H2,(H,23,24).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 70773171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).