2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride

C16H27ClF2N4O — CID 119825850

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)C1CCNCC1.Cl
InChIInChI=1S/C16H26F2N4O.ClH/c1-4-9-21(13-5-7-19-8-6-13)15(23)10-14-11(2)20-22(12(14)3)16(17)18;/h13,16,19H,4-10H2,1-3H3;1H
InChIKeyFULGJNHRANCROT-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.85
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119825850) has the molecular formula C16H27ClF2N4O and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119825850
Molecular FormulaC16H27ClF2N4O
Molecular Weight364.87 g/mol
Exact Mass364.18
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)C1CCNCC1.Cl
InChIInChI=1S/C16H26F2N4O.ClH/c1-4-9-21(13-5-7-19-8-6-13)15(23)10-14-11(2)20-22(12(14)3)16(17)18;/h13,16,19H,4-10H2,1-3H3;1H
InChIKeyFULGJNHRANCROT-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 95567771
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825474
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443137
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825475
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
3-ethyl-N-piperidin-4-yl-N-propylpentanamide;hydrochloride
CID 119824289
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 99849753
N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 119823659
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 91659773
2-(6-methyl-3-pyridinyl)-N-piperidin-4-yl-N-propylacetamide
CID 119825418

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119825850) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)Cc1c(C)nn(C(F)F)c1C)C1CCNCC1.Cl.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is FULGJNHRANCROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O.ClH/c1-4-9-21(13-5-7-19-8-6-13)15(23)10-14-11(2)20-22(12(14)3)16(17)18;/h13,16,19H,4-10H2,1-3H3;1H.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119825850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).