1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one

C18H14ClN3O3S — CID 20569685

IUPAC1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1c2ccccc2S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C18H14ClN3O3S/c19-13-6-7-17-15(12-13)22(18(23)8-11-21-10-3-9-20-21)14-4-1-2-5-16(14)26(17,24)25/h1-7,9-10,12H,8,11H2
InChIKeyTZLNANGCIOETBL-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one

1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 20569685) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID20569685
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1c2ccccc2S(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C18H14ClN3O3S/c19-13-6-7-17-15(12-13)22(18(23)8-11-21-10-3-9-20-21)14-4-1-2-5-16(14)26(17,24)25/h1-7,9-10,12H,8,11H2
InChIKeyTZLNANGCIOETBL-UHFFFAOYSA-N
XLogP3.44
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one (CID 20569685) is 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1c2ccccc2S(=O)(=O)c2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is TZLNANGCIOETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-13-6-7-17-15(12-13)22(18(23)8-11-21-10-3-9-20-21)14-4-1-2-5-16(14)26(17,24)25/h1-7,9-10,12H,8,11H2.
What are the key properties of 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one?
1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 387.85 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 20569685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).