(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one

C17H14N2O2 — CID 135421553

IUPAC(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1
InChIInChI=1S/C17H14N2O2/c1-12-16(11-13-7-9-15(20)10-8-13)17(21)19(18-12)14-5-3-2-4-6-14/h2-11,20H,1H3/b16-11-
InChIKeyQBFSAJXVYXGHKA-WJDWOHSUSA-N
MW278.31 g/mol
LogP3.20
Rot. Bonds2

About (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one

(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 135421553) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
PubChem CID135421553
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1
InChIInChI=1S/C17H14N2O2/c1-12-16(11-13-7-9-15(20)10-8-13)17(21)19(18-12)14-5-3-2-4-6-14/h2-11,20H,1H3/b16-11-
InChIKeyQBFSAJXVYXGHKA-WJDWOHSUSA-N
XLogP3.20
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

CID 135505744
CID 135505744
CID 5395481
CID 5395481
CID 5377598
CID 5377598
CID 5386456
CID 5386456
CID 5754148
CID 5754148
CID 6514459
CID 6514459
CID 135676326
CID 135676326
CID 2312163
CID 2312163
CID 135436329
CID 135436329
CID 832826
CID 832826
CID 9684182
CID 9684182
CID 15040001
CID 15040001

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one (CID 135421553) is (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1.
What is the InChIKey of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is QBFSAJXVYXGHKA-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-16(11-13-7-9-15(20)10-8-13)17(21)19(18-12)14-5-3-2-4-6-14/h2-11,20H,1H3/b16-11-.
What are the key properties of (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 278.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 135421553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).