N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide

C8H10F3N3O — CID 123710663

IUPACN-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCN(C)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c1-3-13(2)7(15)14-5-6(4-12-14)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyYIBRWTLMRYBEFO-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.82
Rot. Bonds1

About N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide

N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 123710663) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID123710663
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCCN(C)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O/c1-3-13(2)7(15)14-5-6(4-12-14)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyYIBRWTLMRYBEFO-UHFFFAOYSA-N
XLogP1.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Serine Hydrolase Inhibitor-10
CID 89785475
2,2,2-Trifluoro-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 91727167
N-(difluoromethyl)-N-methylpyrazole-1-carboxamide
CID 117993984
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
(4-Methyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526639
Pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526681
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526683
N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 118526777

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide (CID 123710663) is N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide is CCN(C)C(=O)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is YIBRWTLMRYBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-3-13(2)7(15)14-5-6(4-12-14)8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide?
N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 123710663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).