3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide

C11H16F3N3O2S — CID 91629724

IUPAC3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1cnn2c1CCCC2
InChIInChI=1S/C11H16F3N3O2S/c12-11(13,14)4-6-20(18,19)16-8-9-7-15-17-5-2-1-3-10(9)17/h7,16H,1-6,8H2
InChIKeyQNNJJEGAGZUICY-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.59
Rot. Bonds5

About 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide

3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide (PubChem CID 91629724) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide
PubChem CID91629724
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1cnn2c1CCCC2
InChIInChI=1S/C11H16F3N3O2S/c12-11(13,14)4-6-20(18,19)16-8-9-7-15-17-5-2-1-3-10(9)17/h7,16H,1-6,8H2
InChIKeyQNNJJEGAGZUICY-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide
CID 124892783
N,N-dimethyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propane-1-sulfonamide
CID 132391586
(3S)-3-(1-methylpyrazol-3-yl)-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 164640428
4H,5H,6H,7H-Pyrazolo[1,5-A]pyridin-3-ylmethanamine
CID 55251867
4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonamide
CID 135241601
3-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 149756362
4,4-difluoro-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine;2-methylpropane
CID 153587995
1-(2,5-difluorophenyl)-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)methanesulfonamide
CID 91816989
N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
CID 91816992
1-(3-Tert-butyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
CID 113639708
1-(3-Ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827484
1-(3-Ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanesulfonamide
CID 114827727

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide (CID 91629724) is 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCc1cnn2c1CCCC2.
What is the InChIKey of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is QNNJJEGAGZUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c12-11(13,14)4-6-20(18,19)16-8-9-7-15-17-5-2-1-3-10(9)17/h7,16H,1-6,8H2.
What are the key properties of 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide?
3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 91629724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).