1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide

C10H12F3N5O2S — CID 154739343

IUPAC1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(C(NS(=O)(=O)c2cnn(C)c2)C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N5O2S/c1-17-5-7(3-14-17)9(10(11,12)13)16-21(19,20)8-4-15-18(2)6-8/h3-6,9,16H,1-2H3
InChIKeyWZDSVHMJAGFOID-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.74
Rot. Bonds4

About 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide

1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 154739343) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID154739343
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(C(NS(=O)(=O)c2cnn(C)c2)C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N5O2S/c1-17-5-7(3-14-17)9(10(11,12)13)16-21(19,20)8-4-15-18(2)6-8/h3-6,9,16H,1-2H3
InChIKeyWZDSVHMJAGFOID-UHFFFAOYSA-N
XLogP0.74
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 125139473
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
1-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazole-4-sulfonamide
CID 55647338
2-ethyl-N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 125140250
N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 98330045
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 103861135
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide (CID 154739343) is 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide is Cn1cc(C(NS(=O)(=O)c2cnn(C)c2)C(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is WZDSVHMJAGFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-17-5-7(3-14-17)9(10(11,12)13)16-21(19,20)8-4-15-18(2)6-8/h3-6,9,16H,1-2H3.
What are the key properties of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 154739343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).