2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H19F3N4O3 — CID 42285700

IUPAC2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O3/c1-12-10-15(17(27)24-6-8-28-9-7-24)23-25(12)11-16(26)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,22,26)
InChIKeyQRVGFILDJZWYFZ-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.32
Rot. Bonds4

About 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 42285700) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID42285700
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N4O3/c1-12-10-15(17(27)24-6-8-28-9-7-24)23-25(12)11-16(26)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,22,26)
InChIKeyQRVGFILDJZWYFZ-UHFFFAOYSA-N
XLogP2.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285772
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285692
N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285782
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8711428
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519310
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 42285801
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90542359

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 42285700) is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QRVGFILDJZWYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-12-10-15(17(27)24-6-8-28-9-7-24)23-25(12)11-16(26)22-14-4-2-13(3-5-14)18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,22,26).
What are the key properties of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42285700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).