2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C11H10BrF3N4OS — CID 4772943

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)Nc1nccs1
InChIInChI=1S/C11H10BrF3N4OS/c1-5-7(12)8(11(13,14)15)18-19(5)6(2)9(20)17-10-16-3-4-21-10/h3-4,6H,1-2H3,(H,16,17,20)
InChIKeyPPGIPIWSBDONPA-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.63
Rot. Bonds3

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4772943) has the molecular formula C11H10BrF3N4OS and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4772943
Molecular FormulaC11H10BrF3N4OS
Molecular Weight383.19 g/mol
Exact Mass381.97
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)Nc1nccs1
InChIInChI=1S/C11H10BrF3N4OS/c1-5-7(12)8(11(13,14)15)18-19(5)6(2)9(20)17-10-16-3-4-21-10/h3-4,6H,1-2H3,(H,16,17,20)
InChIKeyPPGIPIWSBDONPA-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 903362
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1509843
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 2981764
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 4770994
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75369827
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
3-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-N-1,3-thiazol-2-ylpropanamide
CID 50954475

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 4772943) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PPGIPIWSBDONPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4OS/c1-5-7(12)8(11(13,14)15)18-19(5)6(2)9(20)17-10-16-3-4-21-10/h3-4,6H,1-2H3,(H,16,17,20).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 383.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4772943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).