1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide

C25H19FN4O2S — CID 37015050

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C25H19FN4O2S/c1-15-2-4-16(5-3-15)24-20(13-30(29-24)19-9-6-17(26)7-10-19)25(32)27-18-8-11-22-21(12-18)28-23(31)14-33-22/h2-13H,14H2,1H3,(H,27,32)(H,28,31)
InChIKeyZCWMJTUBEAFRDA-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.28
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide (PubChem CID 37015050) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide
PubChem CID37015050
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C25H19FN4O2S/c1-15-2-4-16(5-3-15)24-20(13-30(29-24)19-9-6-17(26)7-10-19)25(32)27-18-8-11-22-21(12-18)28-23(31)14-33-22/h2-13H,14H2,1H3,(H,27,32)(H,28,31)
InChIKeyZCWMJTUBEAFRDA-UHFFFAOYSA-N
XLogP5.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide 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-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide (CID 37015050) is 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
The InChIKey is ZCWMJTUBEAFRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-15-2-4-16(5-3-15)24-20(13-30(29-24)19-9-6-17(26)7-10-19)25(32)27-18-8-11-22-21(12-18)28-23(31)14-33-22/h2-13H,14H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 37015050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).