2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C12H13ClF3N5OS — CID 45153913

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)s1
InChIInChI=1S/C12H13ClF3N5OS/c1-4-7-18-19-11(23-7)17-10(22)6(3)21-5(2)8(13)9(20-21)12(14,15)16/h6H,4H2,1-3H3,(H,17,19,22)
InChIKeyGIZQHCFRZYFLLK-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 45153913) has the molecular formula C12H13ClF3N5OS and a molecular weight of 367.78 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID45153913
Molecular FormulaC12H13ClF3N5OS
Molecular Weight367.78 g/mol
Exact Mass367.05
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)s1
InChIInChI=1S/C12H13ClF3N5OS/c1-4-7-18-19-11(23-7)17-10(22)6(3)21-5(2)8(13)9(20-21)12(14,15)16/h6H,4H2,1-3H3,(H,17,19,22)
InChIKeyGIZQHCFRZYFLLK-UHFFFAOYSA-N
XLogP3.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide 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-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 45153913) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)C(C)n2nc(C(F)(F)F)c(Cl)c2C)s1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GIZQHCFRZYFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N5OS/c1-4-7-18-19-11(23-7)17-10(22)6(3)21-5(2)8(13)9(20-21)12(14,15)16/h6H,4H2,1-3H3,(H,17,19,22).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 367.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 45153913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).