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

C9H6BrF3N4OS — CID 4769549

IUPAC4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H6BrF3N4OS/c1-17-5(4(10)6(16-17)9(11,12)13)7(18)15-8-14-2-3-19-8/h2-3H,1H3,(H,14,15,18)
InChIKeyRWWKIBDXBYZLRZ-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.91
Rot. Bonds2

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

4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4769549) has the molecular formula C9H6BrF3N4OS and a molecular weight of 355.14 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4769549
Molecular FormulaC9H6BrF3N4OS
Molecular Weight355.14 g/mol
Exact Mass353.94
IUPAC Name4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H6BrF3N4OS/c1-17-5(4(10)6(16-17)9(11,12)13)7(18)15-8-14-2-3-19-8/h2-3H,1H3,(H,14,15,18)
InChIKeyRWWKIBDXBYZLRZ-UHFFFAOYSA-N
XLogP2.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.91
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-N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1028404
4-bromo-1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 831994
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
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-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
1,5-dimethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 16952207
6-methyl-4-oxo-N-(thiazol-2-yl)-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 76146408
N-(5-bromo-1,3-thiazol-2-yl)-1-(difluoromethyl)pyrazole-3-carboxamide
CID 4768580
1-(difluoromethyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 4768716
N-(5-bromo-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769965

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4769549) is 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nccs1.
What is the InChIKey of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RWWKIBDXBYZLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N4OS/c1-17-5(4(10)6(16-17)9(11,12)13)7(18)15-8-14-2-3-19-8/h2-3H,1H3,(H,14,15,18).
What are the key properties of 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 355.14 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4769549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).