6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one

C12H10N4O — CID 139349136

IUPAC6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one
SMILESCn1cc(-c2ccc3[nH]ccc(=O)c3n2)cn1
InChIInChI=1S/C12H10N4O/c1-16-7-8(6-14-16)9-2-3-10-12(15-9)11(17)4-5-13-10/h2-7H,1H3,(H,13,17)
InChIKeyNHDPCKBRTOKMLV-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.32
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one

6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one (PubChem CID 139349136) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one
PubChem CID139349136
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one
SMILESCn1cc(-c2ccc3[nH]ccc(=O)c3n2)cn1
InChIInChI=1S/C12H10N4O/c1-16-7-8(6-14-16)9-2-3-10-12(15-9)11(17)4-5-13-10/h2-7H,1H3,(H,13,17)
InChIKeyNHDPCKBRTOKMLV-UHFFFAOYSA-N
XLogP1.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one (CID 139349136) is 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one is Cn1cc(-c2ccc3[nH]ccc(=O)c3n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one?
The InChIKey is NHDPCKBRTOKMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-16-7-8(6-14-16)9-2-3-10-12(15-9)11(17)4-5-13-10/h2-7H,1H3,(H,13,17).
What are the key properties of 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one?
6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 139349136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).