2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one

C24H18ClN3OS — CID 78267053

IUPAC2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one
SMILESC=c1[nH]n(-c2cccc(Cl)c2)c(=O)c1=Cc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C24H18ClN3OS/c1-15-19(24(29)28(26-15)18-7-5-6-17(25)14-18)12-16-10-11-21-23(13-16)30-22-9-4-3-8-20(22)27(21)2/h3-14,26H,1H2,2H3
InChIKeyVSISZINQJDYIPB-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.29
Rot. Bonds2

About 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one

2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one (PubChem CID 78267053) has the molecular formula C24H18ClN3OS and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one
PubChem CID78267053
Molecular FormulaC24H18ClN3OS
Molecular Weight431.95 g/mol
Exact Mass431.09
IUPAC Name2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one
SMILESC=c1[nH]n(-c2cccc(Cl)c2)c(=O)c1=Cc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C24H18ClN3OS/c1-15-19(24(29)28(26-15)18-7-5-6-17(25)14-18)12-16-10-11-21-23(13-16)30-22-9-4-3-8-20(22)27(21)2/h3-14,26H,1H2,2H3
InChIKeyVSISZINQJDYIPB-UHFFFAOYSA-N
XLogP4.29
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6306761
(4E)-2-(3-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylidenepyrazolidin-3-one
CID 2058463
(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-methylidene-2-naphthalen-2-ylpyrazolidin-3-one
CID 2278456
4-[(E)-[1-(4-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2253509
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 91505289
2-(10-methylphenothiazin-3-yl)isoindole-1,3-dione
CID 15561068
3-[4-[(4-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid
CID 3531655
2-methoxy-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
CID 2180854
4-[(4Z)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonate
CID 2189946
(4E)-4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2184287
2-[(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 71769156
N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine
CID 2335318

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one (CID 78267053) is 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one is C=c1[nH]n(-c2cccc(Cl)c2)c(=O)c1=Cc1ccc2c(c1)Sc1ccccc1N2C.
What is the InChIKey of 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one?
The InChIKey is VSISZINQJDYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3OS/c1-15-19(24(29)28(26-15)18-7-5-6-17(25)14-18)12-16-10-11-21-23(13-16)30-22-9-4-3-8-20(22)27(21)2/h3-14,26H,1H2,2H3.
What are the key properties of 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one?
2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one has a molecular weight of 431.95 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methylidene-4-[(10-methylphenothiazin-3-yl)methylidene]pyrazolidin-3-one is sourced from PubChem (CID 78267053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).