3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide

C15H15F3N4O3 — CID 121091888

IUPAC3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O3/c1-22-8-9(14(21-22)25-2)13(24)19-7-12(23)20-11-6-4-3-5-10(11)15(16,17)18/h3-6,8H,7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyVIZSXXMOIFZCLY-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.82
Rot. Bonds5

About 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide (PubChem CID 121091888) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
PubChem CID121091888
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N4O3/c1-22-8-9(14(21-22)25-2)13(24)19-7-12(23)20-11-6-4-3-5-10(11)15(16,17)18/h3-6,8H,7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyVIZSXXMOIFZCLY-UHFFFAOYSA-N
XLogP1.82
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091901
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091914
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091902
3-methoxy-1-methyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrazole-4-carboxamide
CID 121091994
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091957
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091930
3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092010
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091971
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide (CID 121091888) is 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide?
The InChIKey is VIZSXXMOIFZCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-22-8-9(14(21-22)25-2)13(24)19-7-12(23)20-11-6-4-3-5-10(11)15(16,17)18/h3-6,8H,7H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide has a molecular weight of 356.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121091888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).