2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide

C13H12F3N3O — CID 87609060

IUPAC2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(N(C)C(=O)C(F)(F)F)n[nH]c1-c1ccccc1
InChIInChI=1S/C13H12F3N3O/c1-8-10(9-6-4-3-5-7-9)17-18-11(8)19(2)12(20)13(14,15)16/h3-7H,1-2H3,(H,17,18)
InChIKeySLNVPIVBGWCWTM-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.91
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 87609060) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID87609060
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(N(C)C(=O)C(F)(F)F)n[nH]c1-c1ccccc1
InChIInChI=1S/C13H12F3N3O/c1-8-10(9-6-4-3-5-7-9)17-18-11(8)19(2)12(20)13(14,15)16/h3-7H,1-2H3,(H,17,18)
InChIKeySLNVPIVBGWCWTM-UHFFFAOYSA-N
XLogP2.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide (CID 87609060) is 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide is Cc1c(N(C)C(=O)C(F)(F)F)n[nH]c1-c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SLNVPIVBGWCWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-8-10(9-6-4-3-5-7-9)17-18-11(8)19(2)12(20)13(14,15)16/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 283.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 87609060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).