3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide

C8H12F3N3O2S — CID 63228102

IUPAC3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-5-7(6(2)14-13-5)17(15,16)12-4-3-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)
InChIKeyJJMACFMUMYRXOG-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.26
Rot. Bonds4

About 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 63228102) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
PubChem CID63228102
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-5-7(6(2)14-13-5)17(15,16)12-4-3-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)
InChIKeyJJMACFMUMYRXOG-UHFFFAOYSA-N
XLogP1.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide (CID 63228102) is 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JJMACFMUMYRXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-5-7(6(2)14-13-5)17(15,16)12-4-3-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63228102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).