(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one

C15H15N6O3- — CID 7298259

IUPAC(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one
SMILESCCOc1ccc(/C=C2\C(=O)N(c3nnn[n-]3)N=C2C)cc1OC
InChIInChI=1S/C15H15N6O3/c1-4-24-12-6-5-10(8-13(12)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3/q-1/b11-7-
InChIKeyOSLDAESAKAKSQF-XFFZJAGNSA-N
MW327.32 g/mol
LogP1.04
Rot. Bonds5

About (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one

(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one (PubChem CID 7298259) has the molecular formula C15H15N6O3- and a molecular weight of 327.32 g/mol. Its IUPAC name is (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one
PubChem CID7298259
Molecular FormulaC15H15N6O3-
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one
SMILESCCOc1ccc(/C=C2\C(=O)N(c3nnn[n-]3)N=C2C)cc1OC
InChIInChI=1S/C15H15N6O3/c1-4-24-12-6-5-10(8-13(12)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3/q-1/b11-7-
InChIKeyOSLDAESAKAKSQF-XFFZJAGNSA-N
XLogP1.04
TPSA103.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5286690
2-(4-bromophenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 1333642
propan-2-yl 4-[(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
CID 1016253
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(3-nitrophenyl)pyrazol-3-one
CID 66559752
methyl 2-[2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
CID 6247266
(4Z)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
CID 6183110
4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
CID 3118157
4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one
CID 1007610
2-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 1068746
(4E)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 44807683
[2-methoxy-4-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl] propanoate
CID 5454327
(4E)-2-(3-bromophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 21214070

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one?
The IUPAC name of (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one (CID 7298259) is (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one?
The canonical SMILES for (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one is CCOc1ccc(/C=C2\C(=O)N(c3nnn[n-]3)N=C2C)cc1OC.
What is the InChIKey of (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one?
The InChIKey is OSLDAESAKAKSQF-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H15N6O3/c1-4-24-12-6-5-10(8-13(12)23-3)7-11-9(2)18-21(14(11)22)15-16-19-20-17-15/h5-8H,4H2,1-3H3/q-1/b11-7-.
What are the key properties of (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one?
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one has a molecular weight of 327.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrazol-3-one is sourced from PubChem (CID 7298259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).