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

C12H12F2N4O — CID 115289637

IUPAC2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H12F2N4O/c1-18-6-7(5-16-18)11(15)12(19)17-10-3-8(13)2-9(14)4-10/h2-6,11H,15H2,1H3,(H,17,19)
InChIKeyJLOAVGTVCPFFLT-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.34
Rot. Bonds3

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

2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289637) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289637
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H12F2N4O/c1-18-6-7(5-16-18)11(15)12(19)17-10-3-8(13)2-9(14)4-10/h2-6,11H,15H2,1H3,(H,17,19)
InChIKeyJLOAVGTVCPFFLT-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289947
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 115290303
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107594967
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289637) is 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is JLOAVGTVCPFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-18-6-7(5-16-18)11(15)12(19)17-10-3-8(13)2-9(14)4-10/h2-6,11H,15H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 266.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).