2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone

C13H20ClN3O — CID 39891681

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCC(C)CC2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O/c1-9-4-6-16(7-5-9)12(18)8-17-11(3)13(14)10(2)15-17/h9H,4-8H2,1-3H3
InChIKeyWPXWPJIPLUBORS-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 39891681) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID39891681
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCC(C)CC2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O/c1-9-4-6-16(7-5-9)12(18)8-17-11(3)13(14)10(2)15-17/h9H,4-8H2,1-3H3
InChIKeyWPXWPJIPLUBORS-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 39891681) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1nn(CC(=O)N2CCC(C)CC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is WPXWPJIPLUBORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9-4-6-16(7-5-9)12(18)8-17-11(3)13(14)10(2)15-17/h9H,4-8H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 269.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 39891681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).