5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C18H19F3N4O2 — CID 128973814

IUPAC5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NCC1CCn2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C18H19F3N4O2/c1-11(26)22-9-12-5-6-25-16(7-12)15(10-23-25)17(27)24-14-4-2-3-13(8-14)18(19,20)21/h2-4,8,10,12H,5-7,9H2,1H3,(H,22,26)(H,24,27)
InChIKeyBUTMUEDOMUNWAY-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.85
Rot. Bonds4

About 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128973814) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID128973814
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(=O)NCC1CCn2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C18H19F3N4O2/c1-11(26)22-9-12-5-6-25-16(7-12)15(10-23-25)17(27)24-14-4-2-3-13(8-14)18(19,20)21/h2-4,8,10,12H,5-7,9H2,1H3,(H,22,26)(H,24,27)
InChIKeyBUTMUEDOMUNWAY-UHFFFAOYSA-N
XLogP2.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(acetamidomethyl)-N-[3-(2,2,2-trifluoroethoxymethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167855760
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-(acetamidomethyl)-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166250152
(5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324855
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734
5-methyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 74912042
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90521501
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-(trifluoromethyl)phenyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919301
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 72716893
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71786624
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128973814) is 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC(=O)NCC1CCn2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1.
What is the InChIKey of 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BUTMUEDOMUNWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11(26)22-9-12-5-6-25-16(7-12)15(10-23-25)17(27)24-14-4-2-3-13(8-14)18(19,20)21/h2-4,8,10,12H,5-7,9H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128973814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).