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

C10H14F3N3O2S — CID 124892782

IUPAC3,3,3-trifluoro-N-[(5R)-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-/m1/s1
InChIKeyWPAHRMMNRVUZMN-MRVPVSSYSA-N
MW297.30 g/mol
LogP1.07
Rot. Bonds4

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

3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide (PubChem CID 124892782) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide
PubChem CID124892782
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name3,3,3-trifluoro-N-[(5R)-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-/m1/s1
InChIKeyWPAHRMMNRVUZMN-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide (CID 124892782) is 3,3,3-trifluoro-N-[(5R)-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-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(5R)-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-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
The InChIKey is WPAHRMMNRVUZMN-MRVPVSSYSA-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-/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(5R)-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-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 124892782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).