2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C11H15FN4O — CID 154637358

IUPAC2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCN1CCc2nn(C/C(=C/F)CN)cc2C1=O
InChIInChI=1S/C11H15FN4O/c1-15-3-2-10-9(11(15)17)7-16(14-10)6-8(4-12)5-13/h4,7H,2-3,5-6,13H2,1H3/b8-4+
InChIKeyTVARHLUROQTZEL-XBXARRHUSA-N
MW238.27 g/mol
LogP0.32
Rot. Bonds3

About 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 154637358) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID154637358
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCN1CCc2nn(C/C(=C/F)CN)cc2C1=O
InChIInChI=1S/C11H15FN4O/c1-15-3-2-10-9(11(15)17)7-16(14-10)6-8(4-12)5-13/h4,7H,2-3,5-6,13H2,1H3/b8-4+
InChIKeyTVARHLUROQTZEL-XBXARRHUSA-N
XLogP0.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 154637358) is 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is CN1CCc2nn(C/C(=C/F)CN)cc2C1=O.
What is the InChIKey of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is TVARHLUROQTZEL-XBXARRHUSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-15-3-2-10-9(11(15)17)7-16(14-10)6-8(4-12)5-13/h4,7H,2-3,5-6,13H2,1H3/b8-4+.
What are the key properties of 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 238.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-5-methyl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 154637358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).