2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide

C13H14BrFN4O — CID 104775388

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Br)c2)c(C)c1N
InChIInChI=1S/C13H14BrFN4O/c1-7-13(16)8(2)19(18-7)6-12(20)17-9-3-4-11(15)10(14)5-9/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyHRTHEGWDCLDYEQ-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.62
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide (PubChem CID 104775388) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
PubChem CID104775388
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Br)c2)c(C)c1N
InChIInChI=1S/C13H14BrFN4O/c1-7-13(16)8(2)19(18-7)6-12(20)17-9-3-4-11(15)10(14)5-9/h3-5H,6,16H2,1-2H3,(H,17,20)
InChIKeyHRTHEGWDCLDYEQ-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 43445438
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide
CID 113451838
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-(4-chloro-3-cyanophenyl)acetamide
CID 61118687
N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
CID 104778142
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82012929
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4805815
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide (CID 104775388) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide is Cc1nn(CC(=O)Nc2ccc(F)c(Br)c2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide?
The InChIKey is HRTHEGWDCLDYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-7-13(16)8(2)19(18-7)6-12(20)17-9-3-4-11(15)10(14)5-9/h3-5H,6,16H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-bromo-4-fluorophenyl)acetamide has a molecular weight of 341.18 g/mol, XLogP of 2.62, 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-(3-bromo-4-fluorophenyl)acetamide is sourced from PubChem (CID 104775388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).