1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

C14H20F3N3O2 — CID 126527289

IUPAC1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(C)n1cc2c(n1)CCN(C(=O)C(C)(O)C(F)(F)F)C2
InChIInChI=1S/C14H20F3N3O2/c1-12(2,3)20-8-9-7-19(6-5-10(9)18-20)11(21)13(4,22)14(15,16)17/h8,22H,5-7H2,1-4H3
InChIKeyOOWJNUMBHSGOOB-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.84
Rot. Bonds1

About 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 126527289) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID126527289
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(C)n1cc2c(n1)CCN(C(=O)C(C)(O)C(F)(F)F)C2
InChIInChI=1S/C14H20F3N3O2/c1-12(2,3)20-8-9-7-19(6-5-10(9)18-20)11(21)13(4,22)14(15,16)17/h8,22H,5-7H2,1-4H3
InChIKeyOOWJNUMBHSGOOB-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 126527289) is 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is CC(C)(C)n1cc2c(n1)CCN(C(=O)C(C)(O)C(F)(F)F)C2.
What is the InChIKey of 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is OOWJNUMBHSGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-12(2,3)20-8-9-7-19(6-5-10(9)18-20)11(21)13(4,22)14(15,16)17/h8,22H,5-7H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 319.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 126527289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).