2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide

C11H13BrF3N3O — CID 19532961

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C11H13BrF3N3O/c1-5(10(19)16-2)18-8(6-3-4-6)7(12)9(17-18)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,19)
InChIKeyVMZFRIITQLLQLB-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide (PubChem CID 19532961) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide
PubChem CID19532961
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C11H13BrF3N3O/c1-5(10(19)16-2)18-8(6-3-4-6)7(12)9(17-18)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,19)
InChIKeyVMZFRIITQLLQLB-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide (CID 19532961) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide is CNC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C1CC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide?
The InChIKey is VMZFRIITQLLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/c1-5(10(19)16-2)18-8(6-3-4-6)7(12)9(17-18)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide has a molecular weight of 340.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 19532961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).