2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide

C13H14F2N4O — CID 43445438

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2c(F)cccc2F)c(C)c1N
InChIInChI=1S/C13H14F2N4O/c1-7-12(16)8(2)19(18-7)6-11(20)17-13-9(14)4-3-5-10(13)15/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyAATHAACKXIRRKQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 43445438) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
PubChem CID43445438
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2c(F)cccc2F)c(C)c1N
InChIInChI=1S/C13H14F2N4O/c1-7-12(16)8(2)19(18-7)6-11(20)17-13-9(14)4-3-5-10(13)15/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyAATHAACKXIRRKQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 104775388
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide
CID 66351630
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)phenyl]acetamide
CID 106759281
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82012929
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide
CID 114911462
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114386539
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19523127
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 43382408
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide (CID 43445438) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide is Cc1nn(CC(=O)Nc2c(F)cccc2F)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is AATHAACKXIRRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-7-12(16)8(2)19(18-7)6-11(20)17-13-9(14)4-3-5-10(13)15/h3-5H,6,16H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 280.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 43445438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).