2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide

C15H11F3N6O5S2 — CID 3451644

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3[N+](=O)[O-])cs2)n1
InChIInChI=1S/C15H11F3N6O5S2/c1-8-6-12(15(16,17)18)23(21-8)14-19-9(7-30-14)13(25)20-22-31(28,29)11-5-3-2-4-10(11)24(26)27/h2-7,22H,1H3,(H,20,25)
InChIKeyXYSATTVUORZBJP-UHFFFAOYSA-N
MW476.42 g/mol
LogP2.19
Rot. Bonds6

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide (PubChem CID 3451644) has the molecular formula C15H11F3N6O5S2 and a molecular weight of 476.42 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
PubChem CID3451644
Molecular FormulaC15H11F3N6O5S2
Molecular Weight476.42 g/mol
Exact Mass476.02
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3[N+](=O)[O-])cs2)n1
InChIInChI=1S/C15H11F3N6O5S2/c1-8-6-12(15(16,17)18)23(21-8)14-19-9(7-30-14)13(25)20-22-31(28,29)11-5-3-2-4-10(11)24(26)27/h2-7,22H,1H3,(H,20,25)
InChIKeyXYSATTVUORZBJP-UHFFFAOYSA-N
XLogP2.19
TPSA149.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide 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 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide (CID 3451644) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3[N+](=O)[O-])cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is XYSATTVUORZBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O5S2/c1-8-6-12(15(16,17)18)23(21-8)14-19-9(7-30-14)13(25)20-22-31(28,29)11-5-3-2-4-10(11)24(26)27/h2-7,22H,1H3,(H,20,25).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 476.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N'-(2-nitrophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3451644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).