(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

C18H24N4O2 — CID 16668478

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(O)(c3ccccn3)CC2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-17(2,3)15-12-13(20-21-15)16(23)22-10-7-18(24,8-11-22)14-6-4-5-9-19-14/h4-6,9,12,24H,7-8,10-11H2,1-3H3,(H,20,21)
InChIKeyFKUHOQPCAYCBON-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.23
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 16668478) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID16668478
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(O)(c3ccccn3)CC2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-17(2,3)15-12-13(20-21-15)16(23)22-10-7-18(24,8-11-22)14-6-4-5-9-19-14/h4-6,9,12,24H,7-8,10-11H2,1-3H3,(H,20,21)
InChIKeyFKUHOQPCAYCBON-UHFFFAOYSA-N
XLogP2.23
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 16668478) is (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is CC(C)(C)c1cc(C(=O)N2CCC(O)(c3ccccn3)CC2)n[nH]1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is FKUHOQPCAYCBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-17(2,3)15-12-13(20-21-15)16(23)22-10-7-18(24,8-11-22)14-6-4-5-9-19-14/h4-6,9,12,24H,7-8,10-11H2,1-3H3,(H,20,21).
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 16668478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).