2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone

C13H21N3O — CID 116548028

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
SMILESCCc1cc(CC(=O)C2CCCNC2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-3-11-7-12(16(2)15-11)8-13(17)10-5-4-6-14-9-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyYNXZFMKPWJYHCT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone

2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone (PubChem CID 116548028) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
PubChem CID116548028
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
SMILESCCc1cc(CC(=O)C2CCCNC2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-3-11-7-12(16(2)15-11)8-13(17)10-5-4-6-14-9-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyYNXZFMKPWJYHCT-UHFFFAOYSA-N
XLogP1.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-azaspiro[2.5]octan-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116573132
1-(2-aminocyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580195
2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
CID 116548098
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 113383435
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580505
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone (CID 116548028) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone is CCc1cc(CC(=O)C2CCCNC2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone?
The InChIKey is YNXZFMKPWJYHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-11-7-12(16(2)15-11)8-13(17)10-5-4-6-14-9-10/h7,10,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone has a molecular weight of 235.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116548028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).