2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

C12H19N3O2 — CID 43416018

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)7-12(17)15-5-3-10(16)4-6-15/h10,16H,3-7H2,1-2H3,(H,13,14)
InChIKeyGZIJFEVGEYRGRU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.55
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 43416018) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID43416018
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC(O)CC1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)7-12(17)15-5-3-10(16)4-6-15/h10,16H,3-7H2,1-2H3,(H,13,14)
InChIKeyGZIJFEVGEYRGRU-UHFFFAOYSA-N
XLogP0.55
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 43416018) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is GZIJFEVGEYRGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)7-12(17)15-5-3-10(16)4-6-15/h10,16H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43416018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).