1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

C14H18F5N5O2S — CID 51853676

IUPAC1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F5N5O2S/c1-3-10(23-7-5-12(22-23)14(17,18)19)4-6-20-27(25,26)11-8-24(13(15)16)21-9(11)2/h5,7-8,10,13,20H,3-4,6H2,1-2H3/t10-/m0/s1
InChIKeyLVGSHGRNRPZMJG-JTQLQIEISA-N
MW415.39 g/mol
LogP3.12
Rot. Bonds8

About 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (PubChem CID 51853676) has the molecular formula C14H18F5N5O2S and a molecular weight of 415.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
PubChem CID51853676
Molecular FormulaC14H18F5N5O2S
Molecular Weight415.39 g/mol
Exact Mass415.11
IUPAC Name1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F5N5O2S/c1-3-10(23-7-5-12(22-23)14(17,18)19)4-6-20-27(25,26)11-8-24(13(15)16)21-9(11)2/h5,7-8,10,13,20H,3-4,6H2,1-2H3/t10-/m0/s1
InChIKeyLVGSHGRNRPZMJG-JTQLQIEISA-N
XLogP3.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
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
1,5-dimethyl-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 129538947
N,N-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 132376483
1-methyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 164638670
1-Methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
CID 10708091
1-(difluoromethyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576557
1-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576580
1-(difluoromethyl)-N-[(1-ethyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576599

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (CID 51853676) is 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is CC[C@@H](CCNS(=O)(=O)c1cn(C(F)F)nc1C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The InChIKey is LVGSHGRNRPZMJG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F5N5O2S/c1-3-10(23-7-5-12(22-23)14(17,18)19)4-6-20-27(25,26)11-8-24(13(15)16)21-9(11)2/h5,7-8,10,13,20H,3-4,6H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide has a molecular weight of 415.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51853676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).