N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide

C10H17F3N4O2S — CID 75386939

IUPACN-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H17F3N4O2S/c1-16(5-4-14-20(3,18)19)6-8-7-17(2)15-9(8)10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyQSACOSBVGBMNCX-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.42
Rot. Bonds6

About N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide

N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide (PubChem CID 75386939) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide
PubChem CID75386939
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC NameN-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H17F3N4O2S/c1-16(5-4-14-20(3,18)19)6-8-7-17(2)15-9(8)10(11,12)13/h7,14H,4-6H2,1-3H3
InChIKeyQSACOSBVGBMNCX-UHFFFAOYSA-N
XLogP0.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 71808055
4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 77086335
(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
CID 164637607
2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
CID 67351549
1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperazine
CID 82511702
1-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 82511703
ethyl({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl})amine
CID 83814207
N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 90162159
N-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 135215875
1-[[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 170071241
1-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 174286282
CID 174543855
CID 174543855

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide (CID 75386939) is N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)Cc1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide?
The InChIKey is QSACOSBVGBMNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-16(5-4-14-20(3,18)19)6-8-7-17(2)15-9(8)10(11,12)13/h7,14H,4-6H2,1-3H3.
What are the key properties of N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide?
N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide has a molecular weight of 314.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 75386939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).