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

C10H15F3N4O3S — CID 118526617

IUPACN-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCN(CCN(C)S(C)(=O)=O)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O3S/c1-15(4-5-16(2)21(3,19)20)9(18)17-7-8(6-14-17)10(11,12)13/h6-7H,4-5H2,1-3H3
InChIKeyNQXBRLVUXJHMFP-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.69
Rot. Bonds4

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

N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 118526617) has the molecular formula C10H15F3N4O3S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID118526617
Molecular FormulaC10H15F3N4O3S
Molecular Weight328.32 g/mol
Exact Mass328.08
IUPAC NameN-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
SMILESCN(CCN(C)S(C)(=O)=O)C(=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O3S/c1-15(4-5-16(2)21(3,19)20)9(18)17-7-8(6-14-17)10(11,12)13/h6-7H,4-5H2,1-3H3
InChIKeyNQXBRLVUXJHMFP-UHFFFAOYSA-N
XLogP0.69
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]piperazin-1-yl]ethanone
CID 118526571
(4-Methylsulfonyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526635
(4-Methyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526639
(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
1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 118526837
(4-Methylsulfonylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526845
(4-Tert-butyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526910
(4-Methylperoxysulfanylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 123187106
(4-Methylperoxysulfanyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 123489809
N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 123710663
N-methyl-N-[2-[methyl(methylperoxysulfanyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 123859723

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide (CID 118526617) is N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide is CN(CCN(C)S(C)(=O)=O)C(=O)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is NQXBRLVUXJHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3S/c1-15(4-5-16(2)21(3,19)20)9(18)17-7-8(6-14-17)10(11,12)13/h6-7H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide?
N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).