1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one

C13H21N3O — CID 116564213

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
SMILESCc1cc(CC(=O)CC2CCCNC2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-10-6-12(16(2)15-10)8-13(17)7-11-4-3-5-14-9-11/h6,11,14H,3-5,7-9H2,1-2H3
InChIKeyFTGBUZBNCSJAGY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one (PubChem CID 116564213) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
PubChem CID116564213
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
SMILESCc1cc(CC(=O)CC2CCCNC2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-10-6-12(16(2)15-10)8-13(17)7-11-4-3-5-14-9-11/h6,11,14H,3-5,7-9H2,1-2H3
InChIKeyFTGBUZBNCSJAGY-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
2-piperidin-3-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55105252
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255
N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154900615
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one (CID 116564213) is 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one is Cc1cc(CC(=O)CC2CCCNC2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is FTGBUZBNCSJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-12(16(2)15-10)8-13(17)7-11-4-3-5-14-9-11/h6,11,14H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 116564213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).