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

C10H14F3N3O2S — CID 124892783

IUPAC3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)N[C@H]1CCn2nccc2C1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)3-6-19(17,18)15-8-2-5-16-9(7-8)1-4-14-16/h1,4,8,15H,2-3,5-7H2/t8-/m0/s1
InChIKeyWPAHRMMNRVUZMN-QMMMGPOBSA-N
MW297.30 g/mol
LogP1.07
Rot. Bonds4

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

3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide (PubChem CID 124892783) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide
PubChem CID124892783
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)N[C@H]1CCn2nccc2C1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)3-6-19(17,18)15-8-2-5-16-9(7-8)1-4-14-16/h1,4,8,15H,2-3,5-7H2/t8-/m0/s1
InChIKeyWPAHRMMNRVUZMN-QMMMGPOBSA-N
XLogP1.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)propane-1-sulfonamide
CID 91629724
1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide
CID 128776304
(3S)-1-ethylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 129523917
(3S)-3-(1-methylpyrazol-3-yl)-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 164640428
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-5-amine
CID 55284769
7-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 175056378
5-((3,3,3-Trifluoropropyl)sulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 119101454
3,3,3-trifluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)propane-1-sulfonamide
CID 121018799
3-(1-methyl-1H-pyrazol-3-yl)-1-(3,3,3-trifluoropropanesulfonyl)piperidine
CID 121188714
3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide
CID 124892782
1-(3,3-Difluoro-2,2-dimethylpentyl)sulfonyl-4-(2-ethylpyrazol-3-yl)piperidine
CID 132320330
2-ethyl-4,4,4-trifluoro-N-[1-(1-methylpyrazol-3-yl)ethyl]butane-1-sulfonamide
CID 138046947

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide (CID 124892783) is 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)N[C@H]1CCn2nccc2C1.
What is the InChIKey of 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
The InChIKey is WPAHRMMNRVUZMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)3-6-19(17,18)15-8-2-5-16-9(7-8)1-4-14-16/h1,4,8,15H,2-3,5-7H2/t8-/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.07, 4 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-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 124892783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).