formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one

C9H10F3N3O2 — CID 143223354

IUPACformaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
SMILESC=O.Cn1nc(C(F)(F)F)c2c1C(=O)NCC2
InChIInChI=1S/C8H8F3N3O.CH2O/c1-14-5-4(2-3-12-7(5)15)6(13-14)8(9,10)11;1-2/h2-3H2,1H3,(H,12,15);1H2
InChIKeyWHBRNCYOAQJNBC-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.54
Rot. Bonds

About formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one

formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 143223354) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Nameformaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID143223354
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Nameformaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one
SMILESC=O.Cn1nc(C(F)(F)F)c2c1C(=O)NCC2
InChIInChI=1S/C8H8F3N3O.CH2O/c1-14-5-4(2-3-12-7(5)15)6(13-14)8(9,10)11;1-2/h2-3H2,1H3,(H,12,15);1H2
InChIKeyWHBRNCYOAQJNBC-UHFFFAOYSA-N
XLogP0.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one (CID 143223354) is formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one is C=O.Cn1nc(C(F)(F)F)c2c1C(=O)NCC2.
What is the InChIKey of formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is WHBRNCYOAQJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O.CH2O/c1-14-5-4(2-3-12-7(5)15)6(13-14)8(9,10)11;1-2/h2-3H2,1H3,(H,12,15);1H2.
What are the key properties of formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one?
formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 249.19 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 143223354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).