4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H10BrF3N4OS — CID 19481148

IUPAC4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)sc1C
InChIInChI=1S/C11H10BrF3N4OS/c1-4-5(2)21-10(16-4)17-9(20)7-6(12)8(11(13,14)15)18-19(7)3/h1-3H3,(H,16,17,20)
InChIKeyKKETZUARFGONIZ-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.53
Rot. Bonds2

About 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481148) has the molecular formula C11H10BrF3N4OS and a molecular weight of 383.19 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481148
Molecular FormulaC11H10BrF3N4OS
Molecular Weight383.19 g/mol
Exact Mass381.97
IUPAC Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)sc1C
InChIInChI=1S/C11H10BrF3N4OS/c1-4-5(2)21-10(16-4)17-9(20)7-6(12)8(11(13,14)15)18-19(7)3/h1-3H3,(H,16,17,20)
InChIKeyKKETZUARFGONIZ-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481148) is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)sc1C.
What is the InChIKey of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is KKETZUARFGONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4OS/c1-4-5(2)21-10(16-4)17-9(20)7-6(12)8(11(13,14)15)18-19(7)3/h1-3H3,(H,16,17,20).
What are the key properties of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 383.19 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).