5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one

C19H19N3O4 — CID 91743625

IUPAC5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one
SMILESCOc1cc(OC)c(/N=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-12-17(19(23)22(21-12)13-8-6-5-7-9-13)20-18-15(25-3)10-14(24-2)11-16(18)26-4/h5-11H,1-4H3/b20-17+
InChIKeyADMGTMCXSKIJFE-LVZFUZTISA-N
MW353.38 g/mol
LogP3.21
Rot. Bonds5

About 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one

5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one (PubChem CID 91743625) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one
PubChem CID91743625
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one
SMILESCOc1cc(OC)c(/N=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1
InChIInChI=1S/C19H19N3O4/c1-12-17(19(23)22(21-12)13-8-6-5-7-9-13)20-18-15(25-3)10-14(24-2)11-16(18)26-4/h5-11H,1-4H3/b20-17+
InChIKeyADMGTMCXSKIJFE-LVZFUZTISA-N
XLogP3.21
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 1047386
4-[(5-bromo-2-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 1366980
4-[[3,5-dimethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4686181
imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium
CID 6334003
4-[(2,3-dibromo-4,5-dimethoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 1221892
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5286690
[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate
CID 4291581
4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 1069875
4-[4-[ethyl(2-hydroxyethyl)amino]phenyl]imino-5-methyl-2-phenylpyrazol-3-one
CID 14549854
(4E)-4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 135603200
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 92857771
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5467868

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one (CID 91743625) is 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one is COc1cc(OC)c(/N=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1.
What is the InChIKey of 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one?
The InChIKey is ADMGTMCXSKIJFE-LVZFUZTISA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-17(19(23)22(21-12)13-8-6-5-7-9-13)20-18-15(25-3)10-14(24-2)11-16(18)26-4/h5-11H,1-4H3/b20-17+.
What are the key properties of 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one?
5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one has a molecular weight of 353.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one is sourced from PubChem (CID 91743625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).