N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

C22H17F3N4OS — CID 118392840

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C22H17F3N4OS/c1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h3-12H,1-2H3,(H,27,30)
InChIKeyKRCLLSXTXAMUPQ-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.88
Rot. Bonds4

About N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392840) has the molecular formula C22H17F3N4OS and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392840
Molecular FormulaC22H17F3N4OS
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1csc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C22H17F3N4OS/c1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h3-12H,1-2H3,(H,27,30)
InChIKeyKRCLLSXTXAMUPQ-UHFFFAOYSA-N
XLogP5.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
N-(1$#8243;,5-dimethyl-1H,1$#8243;H-3,1'':3'',4$#8243;-terpyrazol-5''-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 145866428
US12409171, Name RG-0014043
CID 155424429
N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392855
N-(5''-methyl-3-pyridin-2-yl-1''H-1,3''-bipyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 145866429
US11008304, Example 68
CID 147580515
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
CID 2100902
N-[4-(4-methyl-1,3-thiazol-2-yl)-2-phenylpyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 2123127
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
CID 2123128
1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 2558833
N-(4-acetylphenyl)-2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16015278
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 118392840) is N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is Cc1csc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KRCLLSXTXAMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4OS/c1-13-10-19(29(28-13)16-6-4-3-5-7-16)27-20(30)15-8-9-18(22(23,24)25)17(11-15)21-26-14(2)12-31-21/h3-12H,1-2H3,(H,27,30).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 442.47 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).