2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide

C10H12F3N5O3S — CID 138009320

IUPAC2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide
SMILESCOCn1nccc1S(=O)(=O)NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C10H12F3N5O3S/c1-21-6-18-9(2-3-14-18)22(19,20)15-5-7-4-8(17-16-7)10(11,12)13/h2-4,15H,5-6H2,1H3,(H,16,17)
InChIKeyWMMXXNOGVYDPAG-UHFFFAOYSA-N
MW339.30 g/mol
LogP0.71
Rot. Bonds6

About 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide

2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide (PubChem CID 138009320) has the molecular formula C10H12F3N5O3S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide
PubChem CID138009320
Molecular FormulaC10H12F3N5O3S
Molecular Weight339.30 g/mol
Exact Mass339.06
IUPAC Name2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide
SMILESCOCn1nccc1S(=O)(=O)NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C10H12F3N5O3S/c1-21-6-18-9(2-3-14-18)22(19,20)15-5-7-4-8(17-16-7)10(11,12)13/h2-4,15H,5-6H2,1H3,(H,16,17)
InChIKeyWMMXXNOGVYDPAG-UHFFFAOYSA-N
XLogP0.71
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853561
1-(difluoromethyl)-N,3,5-trimethyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 29089301
1-ethyl-3-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 19581843
1,3-dimethyl-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-pyrazole-4-sulfonamide
CID 19582039
1-Methyl-N~4~-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}-1H-pyrazole-4-sulfonamide
CID 19582075
1,3-dimethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 19583006
5-(Difluoromethyl)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
CID 19589008
1-(Difluoromethyl)-N~4~-[3-(3,5-dimethyl-1H-pyrazol-1-YL)-2-methylpropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 19614323
1,3-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614415
1,5-Dimethyl-N~4~-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}-1H-pyrazole-4-sulfonamide
CID 19614426

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide (CID 138009320) is 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide is COCn1nccc1S(=O)(=O)NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide?
The InChIKey is WMMXXNOGVYDPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O3S/c1-21-6-18-9(2-3-14-18)22(19,20)15-5-7-4-8(17-16-7)10(11,12)13/h2-4,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide?
2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide has a molecular weight of 339.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 138009320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).