7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide

C13H10BrN3O2 — CID 47289802

IUPAC7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3cccc(Br)c3o2)n[nH]1
InChIInChI=1S/C13H10BrN3O2/c1-7-5-11(17-16-7)15-13(18)10-6-8-3-2-4-9(14)12(8)19-10/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyAEEBKYAVLDKEMA-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.48
Rot. Bonds2

About 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide

7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 47289802) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID47289802
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3cccc(Br)c3o2)n[nH]1
InChIInChI=1S/C13H10BrN3O2/c1-7-5-11(17-16-7)15-13(18)10-6-8-3-2-4-9(14)12(8)19-10/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyAEEBKYAVLDKEMA-UHFFFAOYSA-N
XLogP3.48
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-Methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 135551429
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 135752981
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)benzofuran-2-carboxamide
CID 135753136
N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)benzofuran-2-carboxamide
CID 42110613
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-7-bromo-1-benzofuran-2-carboxamide
CID 46453784
5-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289705
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 48507279
N-(5-ethyl-1H-pyrazol-3-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 48507280
3-methyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 52331834
5-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56200930
N-(1,3-ditert-butylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 56435398
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 56573716

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 47289802) is 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2cc3cccc(Br)c3o2)n[nH]1.
What is the InChIKey of 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is AEEBKYAVLDKEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c1-7-5-11(17-16-7)15-13(18)10-6-8-3-2-4-9(14)12(8)19-10/h2-6H,1H3,(H2,15,16,17,18).
What are the key properties of 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide?
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47289802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).