1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C15H15F3N4O — CID 134134171

IUPAC1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C15H15F3N4O/c1-9(23)22-6-5-13-12(8-22)14(21-20-13)19-11-4-2-3-10(7-11)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H2,19,20,21)
InChIKeyBAHQNJLZVVLSJW-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.08
Rot. Bonds2

About 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 134134171) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID134134171
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2C1
InChIInChI=1S/C15H15F3N4O/c1-9(23)22-6-5-13-12(8-22)14(21-20-13)19-11-4-2-3-10(7-11)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H2,19,20,21)
InChIKeyBAHQNJLZVVLSJW-UHFFFAOYSA-N
XLogP3.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10265187
1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone
CID 95828281
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-4-(dimethylamino)butanamide
CID 6539560
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174010
1-(3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121365342
US9763922, Example 44
CID 121372691
1-[1-(cyclopropylmethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372879
1-[1-(2-hydroxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372880
1-[1-methyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372897
1-[1-benzyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372898
3-(5-acetyl-3-(m-tolylamino)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propanenitrile
CID 121373031
1-(1-cyclopropyl-3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121373042

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 134134171) is 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2C1.
What is the InChIKey of 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is BAHQNJLZVVLSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9(23)22-6-5-13-12(8-22)14(21-20-13)19-11-4-2-3-10(7-11)15(16,17)18/h2-4,7H,5-6,8H2,1H3,(H2,19,20,21).
What are the key properties of 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 324.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(trifluoromethyl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 134134171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).