5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide

C14H12BrN3O2 — CID 17420094

IUPAC5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccn(C)n2)oc2ccc(Br)cc12
InChIInChI=1S/C14H12BrN3O2/c1-8-10-7-9(15)3-4-11(10)20-13(8)14(19)16-12-5-6-18(2)17-12/h3-7H,1-2H3,(H,16,17,19)
InChIKeySDNBYDNCFRAXRI-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.49
Rot. Bonds2

About 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 17420094) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID17420094
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccn(C)n2)oc2ccc(Br)cc12
InChIInChI=1S/C14H12BrN3O2/c1-8-10-7-9(15)3-4-11(10)20-13(8)14(19)16-12-5-6-18(2)17-12/h3-7H,1-2H3,(H,16,17,19)
InChIKeySDNBYDNCFRAXRI-UHFFFAOYSA-N
XLogP3.49
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 17461489
5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 65307280
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 18109302
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
N'-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 3891002
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-bromo-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 39727003

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 17420094) is 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccn(C)n2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is SDNBYDNCFRAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-8-10-7-9(15)3-4-11(10)20-13(8)14(19)16-12-5-6-18(2)17-12/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17420094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).