2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone

C11H14F3N3O2 — CID 673378

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1
InChIInChI=1S/C11H14F3N3O2/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-2-4-19-5-3-16/h6H,2-5,7H2,1H3
InChIKeyLXJXFUYXTRLPGC-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.07
Rot. Bonds2

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 673378) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID673378
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1
InChIInChI=1S/C11H14F3N3O2/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-2-4-19-5-3-16/h6H,2-5,7H2,1H3
InChIKeyLXJXFUYXTRLPGC-UHFFFAOYSA-N
XLogP1.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-propylacetamide
CID 1923948
4-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}thiomorpholine
CID 753141
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-pyrrolidinylethan-1-one
CID 813457
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2257667
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 659741
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4769222

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone (CID 673378) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LXJXFUYXTRLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-8-6-9(11(12,13)14)15-17(8)7-10(18)16-2-4-19-5-3-16/h6H,2-5,7H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 277.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 673378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).