2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide

C17H28F2N4O — CID 48693109

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H28F2N4O/c1-11(2)10-22-7-5-14(6-8-22)20-16(24)9-15-12(3)21-23(13(15)4)17(18)19/h11,14,17H,5-10H2,1-4H3,(H,20,24)
InChIKeyFVCOUUPZCJCLAM-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.67
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide (PubChem CID 48693109) has the molecular formula C17H28F2N4O and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
PubChem CID48693109
Molecular FormulaC17H28F2N4O
Molecular Weight342.43 g/mol
Exact Mass342.22
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H28F2N4O/c1-11(2)10-22-7-5-14(6-8-22)20-16(24)9-15-12(3)21-23(13(15)4)17(18)19/h11,14,17H,5-10H2,1-4H3,(H,20,24)
InChIKeyFVCOUUPZCJCLAM-UHFFFAOYSA-N
XLogP2.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45885391
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47021107
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51097118
N~3~-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-piperidinedicarboxamide
CID 70749819
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide (CID 48693109) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(CC(C)C)CC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
The InChIKey is FVCOUUPZCJCLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N4O/c1-11(2)10-22-7-5-14(6-8-22)20-16(24)9-15-12(3)21-23(13(15)4)17(18)19/h11,14,17H,5-10H2,1-4H3,(H,20,24).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide has a molecular weight of 342.43 g/mol, XLogP of 2.67, 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-[1-(2-methylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 48693109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).