(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one

C14H13ClN6O3 — CID 123266412

IUPAC(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one
SMILESC=c1[nH]n(-c2nn[nH]n2)c(=O)/c1=C\c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6,18H,1H2,2-3H3,(H,16,17,19,20)/b9-4-
InChIKeyVBLSUZUGGHJNRA-WTKPLQERSA-N
MW348.75 g/mol
LogP-0.41
Rot. Bonds4

About (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one

(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one (PubChem CID 123266412) has the molecular formula C14H13ClN6O3 and a molecular weight of 348.75 g/mol. Its IUPAC name is (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one.

Molecular Properties

Compound Name(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one
PubChem CID123266412
Molecular FormulaC14H13ClN6O3
Molecular Weight348.75 g/mol
Exact Mass348.07
IUPAC Name(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one
SMILESC=c1[nH]n(-c2nn[nH]n2)c(=O)/c1=C\c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6,18H,1H2,2-3H3,(H,16,17,19,20)/b9-4-
InChIKeyVBLSUZUGGHJNRA-WTKPLQERSA-N
XLogP-0.41
TPSA110.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-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-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonamide
CID 2295754
4-[(4E)-3-methylidene-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazolidin-1-yl]benzenesulfonate
CID 2295756
4-[(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid
CID 2273161
[4-[(Z)-[1-(3,4-dichlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-2-methoxyphenyl] acetate
CID 2255763
(4E)-2-(3,4-dimethylphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2262584
(4E)-4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2184287
(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-(3,4-dichlorophenyl)pyrazolidine-3,5-dione
CID 1270544
4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
CID 1259739
N-[(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4670624
(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
CID 5292760
2-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013358
(5E)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1-pyridin-4-yl-1,3-diazinane-2,4,6-trione
CID 126393979

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one?
The IUPAC name of (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one (CID 123266412) is (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one.
What is the SMILES notation for (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one?
The canonical SMILES for (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one is C=c1[nH]n(-c2nn[nH]n2)c(=O)/c1=C\c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one?
The InChIKey is VBLSUZUGGHJNRA-WTKPLQERSA-N. The full InChI is InChI=1S/C14H13ClN6O3/c1-7-9(13(22)21(18-7)14-16-19-20-17-14)4-8-5-10(15)12(24-3)11(6-8)23-2/h4-6,18H,1H2,2-3H3,(H,16,17,19,20)/b9-4-.
What are the key properties of (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one?
(4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one has a molecular weight of 348.75 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-5-methylidene-2-(2H-tetrazol-5-yl)pyrazolidin-3-one is sourced from PubChem (CID 123266412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).