2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C16H25BrF2N4O — CID 4770705

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25BrF2N4O/c1-9-12(17)13(14(18)19)21-23(9)8-11(24)20-10-6-15(2,3)22-16(4,5)7-10/h10,14,22H,6-8H2,1-5H3,(H,20,24)
InChIKeyFWHUEHWVEAPEOK-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 4770705) has the molecular formula C16H25BrF2N4O and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID4770705
Molecular FormulaC16H25BrF2N4O
Molecular Weight407.30 g/mol
Exact Mass406.12
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCc1c(Br)c(C(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H25BrF2N4O/c1-9-12(17)13(14(18)19)21-23(9)8-11(24)20-10-6-15(2,3)22-16(4,5)7-10/h10,14,22H,6-8H2,1-5H3,(H,20,24)
InChIKeyFWHUEHWVEAPEOK-UHFFFAOYSA-N
XLogP3.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 4770705) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is Cc1c(Br)c(C(F)F)nn1CC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is FWHUEHWVEAPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrF2N4O/c1-9-12(17)13(14(18)19)21-23(9)8-11(24)20-10-6-15(2,3)22-16(4,5)7-10/h10,14,22H,6-8H2,1-5H3,(H,20,24).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 407.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 4770705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).