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

C8H10F3N3O — CID 116621339

IUPACN-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCNC(=O)C(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-5(7(15)12-2)14-4-3-6(13-14)8(9,10)11/h3-5H,1-2H3,(H,12,15)
InChIKeySIJIZBOBOGEATF-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.21
Rot. Bonds2

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

N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 116621339) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID116621339
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCNC(=O)C(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-5(7(15)12-2)14-4-3-6(13-14)8(9,10)11/h3-5H,1-2H3,(H,12,15)
InChIKeySIJIZBOBOGEATF-UHFFFAOYSA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 116621339) is N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CNC(=O)C(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is SIJIZBOBOGEATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(7(15)12-2)14-4-3-6(13-14)8(9,10)11/h3-5H,1-2H3,(H,12,15).
What are the key properties of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 221.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 116621339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).