N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H8BrF3N4O — CID 4649294

IUPACN-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H8BrF3N4O/c1-19-7(4-8(18-19)11(13,14)15)10(20)17-9-3-2-6(12)5-16-9/h2-5H,1H3,(H,16,17,20)
InChIKeyXDRJARBMBBCYIX-UHFFFAOYSA-N
MW349.11 g/mol
LogP2.85
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4649294) has the molecular formula C11H8BrF3N4O and a molecular weight of 349.11 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4649294
Molecular FormulaC11H8BrF3N4O
Molecular Weight349.11 g/mol
Exact Mass347.98
IUPAC NameN-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H8BrF3N4O/c1-19-7(4-8(18-19)11(13,14)15)10(20)17-9-3-2-6(12)5-16-9/h2-5H,1H3,(H,16,17,20)
InChIKeyXDRJARBMBBCYIX-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4649294) is N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is XDRJARBMBBCYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N4O/c1-19-7(4-8(18-19)11(13,14)15)10(20)17-9-3-2-6(12)5-16-9/h2-5H,1H3,(H,16,17,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 349.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4649294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).