3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one

C15H12N4O2 — CID 139048699

IUPAC3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2)c(O)c1/C=N/c1ccccn1
InChIInChI=1S/C15H12N4O2/c20-14-12(10-17-13-8-4-5-9-16-13)15(21)19(18-14)11-6-2-1-3-7-11/h1-10,21H,(H,18,20)/b17-10+
InChIKeyJEDNYNKLQWNZMS-LICLKQGHSA-N
MW280.29 g/mol
LogP2.02
Rot. Bonds3

About 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one

3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one (PubChem CID 139048699) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one
PubChem CID139048699
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2)c(O)c1/C=N/c1ccccn1
InChIInChI=1S/C15H12N4O2/c20-14-12(10-17-13-8-4-5-9-16-13)15(21)19(18-14)11-6-2-1-3-7-11/h1-10,21H,(H,18,20)/b17-10+
InChIKeyJEDNYNKLQWNZMS-LICLKQGHSA-N
XLogP2.02
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
CID 135607948
2-(3-chlorophenyl)-5-methyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-3-one
CID 135467567
1-ethyl-4-hydroxy-3-[5-oxo-4-[(E)-pyridin-2-yliminomethyl]-1,2-dihydropyrazol-3-yl]quinolin-2-one
CID 135688806
3-hydroxy-4-[(E)-pyridin-2-yliminomethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 135474179
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
CID 135703589
1-butyl-4-hydroxy-8-methyl-3-(pyridin-2-yliminomethyl)quinolin-2-one
CID 137144257
4-[[3-(4-chlorophenyl)pyrazol-4-ylidene]methyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 136718298
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584
4-[(3-chlorophenyl)diazenyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 137184042
4-[(5-bromoindol-3-ylidene)methyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 137147657
2-(2,4-dimethoxyphenyl)-3-hydroxy-4-(pyridin-2-yliminomethyl)isoquinolin-1-one
CID 2035561
6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
CID 135477983

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one?
The IUPAC name of 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one (CID 139048699) is 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one.
What is the SMILES notation for 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one?
The canonical SMILES for 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one is O=c1[nH]n(-c2ccccc2)c(O)c1/C=N/c1ccccn1.
What is the InChIKey of 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one?
The InChIKey is JEDNYNKLQWNZMS-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-12(10-17-13-8-4-5-9-16-13)15(21)19(18-14)11-6-2-1-3-7-11/h1-10,21H,(H,18,20)/b17-10+.
What are the key properties of 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one?
3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one has a molecular weight of 280.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-4-[(E)-pyridin-2-yliminomethyl]-1H-pyrazol-5-one is sourced from PubChem (CID 139048699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).