N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide

C11H15F3N4O2 — CID 118526777

IUPACN-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCC(=O)N(C)CCN(C)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O2/c1-8(19)16(2)4-5-17(3)10(20)18-7-9(6-15-18)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyIFYDEOBFJVVXJL-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.28
Rot. Bonds3

About N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide

N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 118526777) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID118526777
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCC(=O)N(C)CCN(C)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O2/c1-8(19)16(2)4-5-17(3)10(20)18-7-9(6-15-18)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyIFYDEOBFJVVXJL-UHFFFAOYSA-N
XLogP1.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Shi-13
CID 118526888
Shi-19
CID 118531075
Shi-16
CID 118526607
2,2,2-Trifluoro-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 91727167
1-(3,3-Difluoroazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 117883345
Piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526410
1,4-Diazepan-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526518
1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]piperazin-1-yl]ethanone
CID 118526571
Morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526616
N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 118526617
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
(4-Methylsulfonyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526635

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide (CID 118526777) is N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide is CC(=O)N(C)CCN(C)C(=O)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is IFYDEOBFJVVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-8(19)16(2)4-5-17(3)10(20)18-7-9(6-15-18)11(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).