2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate

C19H15N2O4- — CID 2180854

IUPAC2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccc(OC)c(C(=O)[O-])c1
InChIInChI=1S/C19H16N2O4/c1-12-15(18(22)21(20-12)14-6-4-3-5-7-14)10-13-8-9-17(25-2)16(11-13)19(23)24/h3-11,20H,1H2,2H3,(H,23,24)/p-1/b15-10-
InChIKeyCIOPQLSMTRNYQO-GDNBJRDFSA-M
MW335.34 g/mol
LogP-0.22
Rot. Bonds4

About 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate

2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate (PubChem CID 2180854) has the molecular formula C19H15N2O4- and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
PubChem CID2180854
Molecular FormulaC19H15N2O4-
Molecular Weight335.34 g/mol
Exact Mass335.10
IUPAC Name2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccc(OC)c(C(=O)[O-])c1
InChIInChI=1S/C19H16N2O4/c1-12-15(18(22)21(20-12)14-6-4-3-5-7-14)10-13-8-9-17(25-2)16(11-13)19(23)24/h3-11,20H,1H2,2H3,(H,23,24)/p-1/b15-10-
InChIKeyCIOPQLSMTRNYQO-GDNBJRDFSA-M
XLogP-0.22
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate 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-[(4-methoxy-3-nitrophenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoate
CID 2173818
3-[(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoate
CID 2165681
[2-methoxy-4-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate
CID 2272447
(4E)-2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2058463
(4Z)-4-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2164972
(4E)-4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2184287
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
4-[(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid
CID 2273161
(4E)-2-(3,4-dimethylphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2262584
(2S)-2-[4-[(E)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]propanoic acid
CID 2274533
3-[4-[(4-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid
CID 3531655
[4-[(Z)-[1-(3,4-dichlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-2-methoxyphenyl] acetate
CID 2255763

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate?
The IUPAC name of 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate (CID 2180854) is 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate.
What is the SMILES notation for 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate?
The canonical SMILES for 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1ccc(OC)c(C(=O)[O-])c1.
What is the InChIKey of 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate?
The InChIKey is CIOPQLSMTRNYQO-GDNBJRDFSA-M. The full InChI is InChI=1S/C19H16N2O4/c1-12-15(18(22)21(20-12)14-6-4-3-5-7-14)10-13-8-9-17(25-2)16(11-13)19(23)24/h3-11,20H,1H2,2H3,(H,23,24)/p-1/b15-10-.
What are the key properties of 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate?
2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate has a molecular weight of 335.34 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate is sourced from PubChem (CID 2180854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).