2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

C14H23N3O2 — CID 62372147

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)16-15-10)8-14(19)17-6-3-4-12(9-17)5-7-18/h12,18H,3-9H2,1-2H3,(H,15,16)
InChIKeyIXYUUAJJUAYTFO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 62372147) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID62372147
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)16-15-10)8-14(19)17-6-3-4-12(9-17)5-7-18/h12,18H,3-9H2,1-2H3,(H,15,16)
InChIKeyIXYUUAJJUAYTFO-UHFFFAOYSA-N
XLogP1.19
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.19
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-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 62372147) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is IXYUUAJJUAYTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-13(11(2)16-15-10)8-14(19)17-6-3-4-12(9-17)5-7-18/h12,18H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 1.19, 4 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-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).