4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H9BrF3N3O2 — CID 19268242

IUPAC4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccco2)c(Br)c1C(F)(F)F
InChIInChI=1S/C11H9BrF3N3O2/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-5-6-3-2-4-20-6/h2-4H,5H2,1H3,(H,16,19)
InChIKeyPGFCNQUEVSDXQI-UHFFFAOYSA-N
MW352.11 g/mol
LogP2.72
Rot. Bonds3

About 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268242) has the molecular formula C11H9BrF3N3O2 and a molecular weight of 352.11 g/mol. Its IUPAC name is 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268242
Molecular FormulaC11H9BrF3N3O2
Molecular Weight352.11 g/mol
Exact Mass350.98
IUPAC Name4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccco2)c(Br)c1C(F)(F)F
InChIInChI=1S/C11H9BrF3N3O2/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-5-6-3-2-4-20-6/h2-4H,5H2,1H3,(H,16,19)
InChIKeyPGFCNQUEVSDXQI-UHFFFAOYSA-N
XLogP2.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279532
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 19532503
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19551876
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
N-(furan-2-ylmethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8867854
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 19532801
4-bromo-1-methyl-N-(2,3,5,6-tetrafluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268135
5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
CID 4854734

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268242) is 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccco2)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is PGFCNQUEVSDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O2/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-5-6-3-2-4-20-6/h2-4H,5H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 352.11 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(furan-2-ylmethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).