1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C9H10F3N3O — CID 135783975

IUPAC1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncc2c1NC(=O)CC2C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-2-15-8-5(4-13-15)6(9(10,11)12)3-7(16)14-8/h4,6H,2-3H2,1H3,(H,14,16)
InChIKeyBCXKKZAXTOQCGJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.89
Rot. Bonds1

About 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135783975) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135783975
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1ncc2c1NC(=O)CC2C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-2-15-8-5(4-13-15)6(9(10,11)12)3-7(16)14-8/h4,6H,2-3H2,1H3,(H,14,16)
InChIKeyBCXKKZAXTOQCGJ-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135783975) is 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCn1ncc2c1NC(=O)CC2C(F)(F)F.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BCXKKZAXTOQCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-2-15-8-5(4-13-15)6(9(10,11)12)3-7(16)14-8/h4,6H,2-3H2,1H3,(H,14,16).
What are the key properties of 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 233.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135783975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).