N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide

C9H13F3N4O2S — CID 56793260

IUPACN,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H13F3N4O2S/c1-15(2)19(17,18)16-4-3-7-6(5-16)8(14-13-7)9(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyGMAXWJGRNYHJRT-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.59
Rot. Bonds2

About N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide

N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (PubChem CID 56793260) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
PubChem CID56793260
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H13F3N4O2S/c1-15(2)19(17,18)16-4-3-7-6(5-16)8(14-13-7)9(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyGMAXWJGRNYHJRT-UHFFFAOYSA-N
XLogP0.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (CID 56793260) is N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The InChIKey is GMAXWJGRNYHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-15(2)19(17,18)16-4-3-7-6(5-16)8(14-13-7)9(10,11)12/h3-5H2,1-2H3,(H,13,14).
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is sourced from PubChem (CID 56793260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).