(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone

C15H13BrN2O2 — CID 102949397

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1oc2cc(Br)ccc2c1C
InChIInChI=1S/C15H13BrN2O2/c1-8-11-5-4-10(16)6-13(11)20-15(8)14(19)12-7-18(3)17-9(12)2/h4-7H,1-3H3
InChIKeyOIYGLMNSIXTANS-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.78
Rot. Bonds2

About (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone

(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102949397) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102949397
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1oc2cc(Br)ccc2c1C
InChIInChI=1S/C15H13BrN2O2/c1-8-11-5-4-10(16)6-13(11)20-15(8)14(19)12-7-18(3)17-9(12)2/h4-7H,1-3H3
InChIKeyOIYGLMNSIXTANS-UHFFFAOYSA-N
XLogP3.78
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanone
CID 102949361
(6-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 102949358
methyl 4-[(6-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748913
(3-bromo-4-fluorophenyl)-(6-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 102949376
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 102949391
(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
1-(4-bromo-2-chlorophenyl)-3-(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 102801790
(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63639101
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 17420094
(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 57433379

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 102949397) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)c1oc2cc(Br)ccc2c1C.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is OIYGLMNSIXTANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-8-11-5-4-10(16)6-13(11)20-15(8)14(19)12-7-18(3)17-9(12)2/h4-7H,1-3H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 333.19 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102949397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).