2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide

C11H9F3N4O — CID 62810670

IUPAC2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
SMILESNc1ccn(CC(=O)Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H9F3N4O/c12-7-3-6(4-8(13)11(7)14)16-10(19)5-18-2-1-9(15)17-18/h1-4H,5H2,(H2,15,17)(H,16,19)
InChIKeyLLOADWNLLKPRDI-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.52
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 62810670) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID62810670
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
SMILESNc1ccn(CC(=O)Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C11H9F3N4O/c12-7-3-6(4-8(13)11(7)14)16-10(19)5-18-2-1-9(15)17-18/h1-4H,5H2,(H2,15,17)(H,16,19)
InChIKeyLLOADWNLLKPRDI-UHFFFAOYSA-N
XLogP1.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316767
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide
CID 83081539
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845
2-(3-aminopyrazol-1-yl)-N-quinolin-3-ylacetamide
CID 62112556
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide (CID 62810670) is 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide is Nc1ccn(CC(=O)Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is LLOADWNLLKPRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-7-3-6(4-8(13)11(7)14)16-10(19)5-18-2-1-9(15)17-18/h1-4H,5H2,(H2,15,17)(H,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 270.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 62810670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).