(4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one

C16H13IN2O2 — CID 21214206

IUPAC(4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(C)o1
InChIInChI=1S/C16H13IN2O2/c1-10-3-8-14(21-10)9-15-11(2)18-19(16(15)20)13-6-4-12(17)5-7-13/h3-9H,1-2H3/b15-9-
InChIKeyJGUVPWARKZLNQE-DHDCSXOGSA-N
MW392.20 g/mol
LogP4.00
Rot. Bonds2

About (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one

(4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one (PubChem CID 21214206) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one
PubChem CID21214206
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC Name(4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(C)o1
InChIInChI=1S/C16H13IN2O2/c1-10-3-8-14(21-10)9-15-11(2)18-19(16(15)20)13-6-4-12(17)5-7-13/h3-9H,1-2H3/b15-9-
InChIKeyJGUVPWARKZLNQE-DHDCSXOGSA-N
XLogP4.00
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]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

4-[(4Z)-4-[[5-(4-iodophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide
CID 50886259
(4Z)-2-(4-iodophenyl)-5-methyl-4-[(4-methylphenyl)methylidene]pyrazol-3-one
CID 1332271
4-[[4-(dimethylamino)phenyl]methylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one
CID 3621886
5-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1,3-dimethylbenzimidazol-2-one
CID 5431153
(4Z)-2-(4-chlorophenyl)-5-methyl-4-[(5-nitrofuran-2-yl)methylidene]pyrazol-3-one
CID 5406715
(4E)-4-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
CID 6521159
4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one
CID 1007610
(4E)-5-methyl-2-(4-methylphenyl)-4-[(4-methylphenyl)methylidene]pyrazol-3-one
CID 913688
4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 91988886
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6262054
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one
CID 1333920
(4E)-4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 124650791

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one?
The IUPAC name of (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one (CID 21214206) is (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one is CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(C)o1.
What is the InChIKey of (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one?
The InChIKey is JGUVPWARKZLNQE-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-10-3-8-14(21-10)9-15-11(2)18-19(16(15)20)13-6-4-12(17)5-7-13/h3-9H,1-2H3/b15-9-.
What are the key properties of (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one?
(4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one has a molecular weight of 392.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-iodophenyl)-5-methyl-4-[(5-methylfuran-2-yl)methylidene]pyrazol-3-one is sourced from PubChem (CID 21214206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).