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

C11H10BrF3N4O2 — CID 4771067

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)no1
InChIInChI=1S/C11H10BrF3N4O2/c1-5-3-7(18-21-5)16-8(20)4-19-6(2)9(12)10(17-19)11(13,14)15/h3H,4H2,1-2H3,(H,16,18,20)
InChIKeyBUYDHQBERJZKFP-UHFFFAOYSA-N
MW367.13 g/mol
LogP2.91
Rot. Bonds3

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

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4771067) has the molecular formula C11H10BrF3N4O2 and a molecular weight of 367.13 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4771067
Molecular FormulaC11H10BrF3N4O2
Molecular Weight367.13 g/mol
Exact Mass365.99
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)no1
InChIInChI=1S/C11H10BrF3N4O2/c1-5-3-7(18-21-5)16-8(20)4-19-6(2)9(12)10(17-19)11(13,14)15/h3H,4H2,1-2H3,(H,16,18,20)
InChIKeyBUYDHQBERJZKFP-UHFFFAOYSA-N
XLogP2.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.13
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4771067) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)no1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BUYDHQBERJZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4O2/c1-5-3-7(18-21-5)16-8(20)4-19-6(2)9(12)10(17-19)11(13,14)15/h3H,4H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 367.13 g/mol, XLogP of 2.91, 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-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4771067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).