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

C7H9F3N4O2S — CID 167907268

IUPAC3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESNS(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)6-4-3-14(17(11,15)16)2-1-5(4)12-13-6/h1-3H2,(H,12,13)(H2,11,15,16)
InChIKeyXIJNRIPMAWPYKI-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.01
Rot. Bonds1

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

3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (PubChem CID 167907268) has the molecular formula C7H9F3N4O2S and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
PubChem CID167907268
Molecular FormulaC7H9F3N4O2S
Molecular Weight270.24 g/mol
Exact Mass270.04
IUPAC Name3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
SMILESNS(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)6-4-3-14(17(11,15)16)2-1-5(4)12-13-6/h1-3H2,(H,12,13)(H2,11,15,16)
InChIKeyXIJNRIPMAWPYKI-UHFFFAOYSA-N
XLogP-0.01
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 165657638
3-(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N,N-dimethylpropane-1-sulfonamide
CID 91834354
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 25324037
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 45480287
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CID 50988603
5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57362245
5-Acetyl-4,5,6,7-tetrahydro-3-(trifluoromethyl)pyrazolo-[4,3-C]-pyridine
CID 57373291
3-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 58617572
3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 66874475
7,7-Dimethyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrazolo[4,3-c]pyridine
CID 67337478
7,7-dimethyl-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CID 67338170
5-Ethyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 68029788

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide (CID 167907268) is 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The canonical SMILES for 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is NS(=O)(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
The InChIKey is XIJNRIPMAWPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2S/c8-7(9,10)6-4-3-14(17(11,15)16)2-1-5(4)12-13-6/h1-3H2,(H,12,13)(H2,11,15,16).
What are the key properties of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide?
3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide has a molecular weight of 270.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide is sourced from PubChem (CID 167907268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).