N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide

C13H12F3N3O — CID 68643513

IUPACN-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-9(20)17-12-6-7-19(18-12)8-10-4-2-3-5-11(10)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,20)
InChIKeyIOSKYFYZUSMQOD-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.91
Rot. Bonds3

About N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide

N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide (PubChem CID 68643513) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
PubChem CID68643513
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-9(20)17-12-6-7-19(18-12)8-10-4-2-3-5-11(10)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,20)
InChIKeyIOSKYFYZUSMQOD-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide (CID 68643513) is N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide?
The InChIKey is IOSKYFYZUSMQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-9(20)17-12-6-7-19(18-12)8-10-4-2-3-5-11(10)13(14,15)16/h2-7H,8H2,1H3,(H,17,18,20).
What are the key properties of N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide?
N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide has a molecular weight of 283.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 68643513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).