6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile

C18H14N4O3 — CID 135699060

IUPAC6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H14N4O3/c1-10-13(16(23)20-17(24)15(10)9-19)8-14-11(2)21-22(18(14)25)12-6-4-3-5-7-12/h3-8H,1-2H3,(H2,20,23,24)/b14-8-
InChIKeyKZFJQWNDMUZUIA-ZSOIEALJSA-N
MW334.34 g/mol
LogP2.07
Rot. Bonds2

About 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile

6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 135699060) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID135699060
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C18H14N4O3/c1-10-13(16(23)20-17(24)15(10)9-19)8-14-11(2)21-22(18(14)25)12-6-4-3-5-7-12/h3-8H,1-2H3,(H2,20,23,24)/b14-8-
InChIKeyKZFJQWNDMUZUIA-ZSOIEALJSA-N
XLogP2.07
TPSA109.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 135699060) is 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile is CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KZFJQWNDMUZUIA-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-10-13(16(23)20-17(24)15(10)9-19)8-14-11(2)21-22(18(14)25)12-6-4-3-5-7-12/h3-8H,1-2H3,(H2,20,23,24)/b14-8-.
What are the key properties of 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 334.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135699060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).