N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide

C20H12ClF3N4OS — CID 17038226

IUPACN-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)C(F)(F)F
InChIInChI=1S/C20H12ClF3N4OS/c21-14-8-6-13(7-9-14)15-10-17(26-18(29)20(22,23)24)28(27-15)19-25-16(11-30-19)12-4-2-1-3-5-12/h1-11H,(H,26,29)
InChIKeyQHZKXIRAABTAGW-UHFFFAOYSA-N
MW448.86 g/mol
LogP5.82
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide

N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 17038226) has the molecular formula C20H12ClF3N4OS and a molecular weight of 448.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
PubChem CID17038226
Molecular FormulaC20H12ClF3N4OS
Molecular Weight448.86 g/mol
Exact Mass448.04
IUPAC NameN-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)C(F)(F)F
InChIInChI=1S/C20H12ClF3N4OS/c21-14-8-6-13(7-9-14)15-10-17(26-18(29)20(22,23)24)28(27-15)19-25-16(11-30-19)12-4-2-1-3-5-12/h1-11H,(H,26,29)
InChIKeyQHZKXIRAABTAGW-UHFFFAOYSA-N
XLogP5.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-yl]-2-chloroacetamide
CID 2715964
N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1489969
2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
CID 2717922
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1490075
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 22308209
2-[3-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 4873431
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 17039133

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide (CID 17038226) is N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide is O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)C(F)(F)F.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QHZKXIRAABTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4OS/c21-14-8-6-13(7-9-14)15-10-17(26-18(29)20(22,23)24)28(27-15)19-25-16(11-30-19)12-4-2-1-3-5-12/h1-11H,(H,26,29).
What are the key properties of N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide?
N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 448.86 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 17038226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).