4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide

C11H8BrF2N3O — CID 2902549

IUPAC4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H8BrF2N3O/c1-17-10(7(12)5-15-17)11(18)16-9-3-2-6(13)4-8(9)14/h2-5H,1H3,(H,16,18)
InChIKeyUBWLQIWFVGUHBI-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.71
Rot. Bonds2

About 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide

4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 2902549) has the molecular formula C11H8BrF2N3O and a molecular weight of 316.11 g/mol. Its IUPAC name is 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID2902549
Molecular FormulaC11H8BrF2N3O
Molecular Weight316.11 g/mol
Exact Mass314.98
IUPAC Name4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H8BrF2N3O/c1-17-10(7(12)5-15-17)11(18)16-9-3-2-6(13)4-8(9)14/h2-5H,1H3,(H,16,18)
InChIKeyUBWLQIWFVGUHBI-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide (CID 2902549) is 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is UBWLQIWFVGUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O/c1-17-10(7(12)5-15-17)11(18)16-9-3-2-6(13)4-8(9)14/h2-5H,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide?
4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 316.11 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-difluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 2902549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).