1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one

C13H20ClN3O2 — CID 116571176

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
SMILESCc1nn(C)c(CC(=O)COC2CCNCC2)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-9-13(14)12(17(2)16-9)7-10(18)8-19-11-3-5-15-6-4-11/h11,15H,3-8H2,1-2H3
InChIKeyWBTTVTIGZUNYFI-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.26
Rot. Bonds5

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one (PubChem CID 116571176) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
PubChem CID116571176
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
SMILESCc1nn(C)c(CC(=O)COC2CCNCC2)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-9-13(14)12(17(2)16-9)7-10(18)8-19-11-3-5-15-6-4-11/h11,15H,3-8H2,1-2H3
InChIKeyWBTTVTIGZUNYFI-UHFFFAOYSA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572314
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571131
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075
4-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methylpentan-2-one
CID 116581212
1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
CID 107311349
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986084
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(dimethylamino)butan-2-one
CID 115345653
1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
CID 105108649
3-amino-1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methylbutan-2-one
CID 116560270

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one (CID 116571176) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one is Cc1nn(C)c(CC(=O)COC2CCNCC2)c1Cl.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
The InChIKey is WBTTVTIGZUNYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9-13(14)12(17(2)16-9)7-10(18)8-19-11-3-5-15-6-4-11/h11,15H,3-8H2,1-2H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one has a molecular weight of 285.77 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one is sourced from PubChem (CID 116571176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).