N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C16H18F3N3O2S — CID 91816992

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H18F3N3O2S/c17-16(18,19)14-6-4-12(5-7-14)11-25(23,24)21-10-13-9-20-22-8-2-1-3-15(13)22/h4-7,9,21H,1-3,8,10-11H2
InChIKeyNBJPJGZKJFZSDR-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.86
Rot. Bonds5

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 91816992) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID91816992
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H18F3N3O2S/c17-16(18,19)14-6-4-12(5-7-14)11-25(23,24)21-10-13-9-20-22-8-2-1-3-15(13)22/h4-7,9,21H,1-3,8,10-11H2
InChIKeyNBJPJGZKJFZSDR-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-1-hexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384100
3-(4-Fluorophenyl)-1-pentyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384221
1h-Pyrazolo[4,3-c]pyridine,1-ethyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-,monomethanesulfonate
CID 44384530
1h-Pyrazolo[4,3-c]pyridine,1-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-,monomethanesulfonate
CID 44385042
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-propyl-,monomethanesulfonate
CID 44385297
(S)-N-(5-((4-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 44555668
N-[(2S)-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 53325272
3-(4-Fluoro-phenyl)-1-[(R)-1-(4-fluoro-phenyl)-ethyl]-5-methanesulfonyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 71533617
3-(4-fluorophenyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71533618
3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 78101751
(7Z)-3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-1-(2,2,2-trifluoroethyl)-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
CID 12532317
1-(3-fluorophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
CID 71790796

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 91816992) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1cnn2c1CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is NBJPJGZKJFZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c17-16(18,19)14-6-4-12(5-7-14)11-25(23,24)21-10-13-9-20-22-8-2-1-3-15(13)22/h4-7,9,21H,1-3,8,10-11H2.
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 91816992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).