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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Related Compounds

4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796
1-(4-chlorophenyl)-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636865
(4R)-1-ethyl-4-[2-(methoxymethyl)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713796
1-(2-chlorophenyl)-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135636885
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
CID 171339502
(4R)-4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389300
1-ethyl-4-[3-(2-hydroxyethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169420538
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737610
ethyl 2-[3-methyl-6-oxo-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632463
(4S)-1-propan-2-yl-4-(trifluoromethyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136669930
(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899610
5-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135851195

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).