5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one

C11H8N4O — CID 10330804

IUPAC5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(-n3cccn3)nccc2[nH]1
InChIInChI=1S/C11H8N4O/c16-10-3-2-8-9(14-10)4-6-12-11(8)15-7-1-5-13-15/h1-7H,(H,14,16)
InChIKeyBMXNJIMWIPKMMU-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.11
Rot. Bonds1

About 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one

5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one (PubChem CID 10330804) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one
PubChem CID10330804
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(-n3cccn3)nccc2[nH]1
InChIInChI=1S/C11H8N4O/c16-10-3-2-8-9(14-10)4-6-12-11(8)15-7-1-5-13-15/h1-7H,(H,14,16)
InChIKeyBMXNJIMWIPKMMU-UHFFFAOYSA-N
XLogP1.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one (CID 10330804) is 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one is O=c1ccc2c(-n3cccn3)nccc2[nH]1.
What is the InChIKey of 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one?
The InChIKey is BMXNJIMWIPKMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-10-3-2-8-9(14-10)4-6-12-11(8)15-7-1-5-13-15/h1-7H,(H,14,16).
What are the key properties of 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one?
5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one has a molecular weight of 212.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 10330804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).