5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C15H15FN4O — CID 107878865

IUPAC5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccc(F)c(CN)c3)ccn2n1
InChIInChI=1S/C15H15FN4O/c1-10-6-14-15(21)19(4-5-20(14)18-10)9-11-2-3-13(16)12(7-11)8-17/h2-7H,8-9,17H2,1H3
InChIKeyYLEHSENNFZVHAC-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.45
Rot. Bonds3

About 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 107878865) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID107878865
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccc(F)c(CN)c3)ccn2n1
InChIInChI=1S/C15H15FN4O/c1-10-6-14-15(21)19(4-5-20(14)18-10)9-11-2-3-13(16)12(7-11)8-17/h2-7H,8-9,17H2,1H3
InChIKeyYLEHSENNFZVHAC-UHFFFAOYSA-N
XLogP1.45
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 107878865) is 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3ccc(F)c(CN)c3)ccn2n1.
What is the InChIKey of 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is YLEHSENNFZVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-10-6-14-15(21)19(4-5-20(14)18-10)9-11-2-3-13(16)12(7-11)8-17/h2-7H,8-9,17H2,1H3.
What are the key properties of 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 286.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 107878865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).