2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C31H22ClF7N8O2S2 — CID 177025858

IUPAC2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-n2ccc(CC(=O)Nc3ncc(C(F)(F)F)s3)n2)cc1.O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C16H13F3N4OS.C15H9ClF4N4OS/c1-10-2-4-12(5-3-10)23-7-6-11(22-23)8-14(24)21-15-20-9-13(25-15)16(17,18)19;16-10-6-9(1-2-11(10)17)24-4-3-8(23-24)5-13(25)22-14-21-7-12(26-14)15(18,19)20/h2-7,9H,8H2,1H3,(H,20,21,24);1-4,6-7H,5H2,(H,21,22,25)
InChIKeyUGWBPQBVDZYRDH-UHFFFAOYSA-N
MW771.14 g/mol
LogP8.16
Rot. Bonds8

About 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 177025858) has the molecular formula C31H22ClF7N8O2S2 and a molecular weight of 771.14 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID177025858
Molecular FormulaC31H22ClF7N8O2S2
Molecular Weight771.14 g/mol
Exact Mass770.09
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-n2ccc(CC(=O)Nc3ncc(C(F)(F)F)s3)n2)cc1.O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C16H13F3N4OS.C15H9ClF4N4OS/c1-10-2-4-12(5-3-10)23-7-6-11(22-23)8-14(24)21-15-20-9-13(25-15)16(17,18)19;16-10-6-9(1-2-11(10)17)24-4-3-8(23-24)5-13(25)22-14-21-7-12(26-14)15(18,19)20/h2-7,9H,8H2,1H3,(H,20,21,24);1-4,6-7H,5H2,(H,21,22,25)
InChIKeyUGWBPQBVDZYRDH-UHFFFAOYSA-N
XLogP8.16
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.14
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide 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-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 177025858) is 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-n2ccc(CC(=O)Nc3ncc(C(F)(F)F)s3)n2)cc1.O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UGWBPQBVDZYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS.C15H9ClF4N4OS/c1-10-2-4-12(5-3-10)23-7-6-11(22-23)8-14(24)21-15-20-9-13(25-15)16(17,18)19;16-10-6-9(1-2-11(10)17)24-4-3-8(23-24)5-13(25)22-14-21-7-12(26-14)15(18,19)20/h2-7,9H,8H2,1H3,(H,20,21,24);1-4,6-7H,5H2,(H,21,22,25).
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 771.14 g/mol, XLogP of 8.16, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 177025858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).