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

C8H8F3N3O — CID 90167820

IUPAC1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCn1nc(C(F)(F)F)c2c1CCNC2=O
InChIInChI=1S/C8H8F3N3O/c1-14-4-2-3-12-7(15)5(4)6(13-14)8(9,10)11/h2-3H2,1H3,(H,12,15)
InChIKeySEBVZFQHKPEGAZ-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.72
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 90167820) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID90167820
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCn1nc(C(F)(F)F)c2c1CCNC2=O
InChIInChI=1S/C8H8F3N3O/c1-14-4-2-3-12-7(15)5(4)6(13-14)8(9,10)11/h2-3H2,1H3,(H,12,15)
InChIKeySEBVZFQHKPEGAZ-UHFFFAOYSA-N
XLogP0.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one (CID 90167820) is 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one is Cn1nc(C(F)(F)F)c2c1CCNC2=O.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is SEBVZFQHKPEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-14-4-2-3-12-7(15)5(4)6(13-14)8(9,10)11/h2-3H2,1H3,(H,12,15).
What are the key properties of 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 219.17 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 90167820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).