5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one

C19H14N6O — CID 67113899

IUPAC5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESO=c1[nH]nc2c3ncccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2
InChIInChI=1S/C19H14N6O/c26-19-15-12-24(16-3-1-8-20-18(16)17(15)22-23-19)11-13-4-6-14(7-5-13)25-10-2-9-21-25/h1-10,12H,11H2,(H,23,26)
InChIKeyGEKLVAUZGKBOSR-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.46
Rot. Bonds3

About 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one

5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (PubChem CID 67113899) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

Molecular Properties

Compound Name5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
PubChem CID67113899
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESO=c1[nH]nc2c3ncccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2
InChIInChI=1S/C19H14N6O/c26-19-15-12-24(16-3-1-8-20-18(16)17(15)22-23-19)11-13-4-6-14(7-5-13)25-10-2-9-21-25/h1-10,12H,11H2,(H,23,26)
InChIKeyGEKLVAUZGKBOSR-UHFFFAOYSA-N
XLogP2.46
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
5-{[4-(1H-Pyrazol-1-yl)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 68153829
4-(Benzylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291866
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxamide
CID 883433
N'-[(1,4-diphenyl-1H-pyrazol-3-yl)methylene]isonicotinohydrazide
CID 6877188
N'-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]isonicotinohydrazide
CID 6895208
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6899063
4-fluoro-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6899064
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 6905906
N~2~-(4-ethylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024863

Frequently Asked Questions

What is the IUPAC name of 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The IUPAC name of 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (CID 67113899) is 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.
What is the SMILES notation for 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The canonical SMILES for 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is O=c1[nH]nc2c3ncccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2.
What is the InChIKey of 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The InChIKey is GEKLVAUZGKBOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c26-19-15-12-24(16-3-1-8-20-18(16)17(15)22-23-19)11-13-4-6-14(7-5-13)25-10-2-9-21-25/h1-10,12H,11H2,(H,23,26).
What are the key properties of 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one has a molecular weight of 342.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is sourced from PubChem (CID 67113899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).