2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide

C13H19F3N4O2 — CID 19522035

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C13H19F3N4O2/c1-10-8-11(13(14,15)16)20(18-10)9-12(21)17-2-3-19-4-6-22-7-5-19/h8H,2-7,9H2,1H3,(H,17,21)
InChIKeyJZTSWSBTSNZNDC-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.66
Rot. Bonds5

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 19522035) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID19522035
Molecular FormulaC13H19F3N4O2
Molecular Weight320.31 g/mol
Exact Mass320.15
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C13H19F3N4O2/c1-10-8-11(13(14,15)16)20(18-10)9-12(21)17-2-3-19-4-6-22-7-5-19/h8H,2-7,9H2,1H3,(H,17,21)
InChIKeyJZTSWSBTSNZNDC-UHFFFAOYSA-N
XLogP0.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19525666
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 19522045
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19530085
5-tert-butyl-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466422
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19517448
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111026987
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 19522035) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(C(F)(F)F)n(CC(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is JZTSWSBTSNZNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-10-8-11(13(14,15)16)20(18-10)9-12(21)17-2-3-19-4-6-22-7-5-19/h8H,2-7,9H2,1H3,(H,17,21).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 320.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 19522035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).