5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide

C17H18BrN3O2 — CID 35760932

IUPAC5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc3cc(Br)ccc3o2)n1
InChIInChI=1S/C17H18BrN3O2/c1-11-8-12(2)21(20-11)7-3-6-19-17(22)16-10-13-9-14(18)4-5-15(13)23-16/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,22)
InChIKeyQOGXULGDXLACIK-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.83
Rot. Bonds5

About 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide

5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 35760932) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
PubChem CID35760932
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc3cc(Br)ccc3o2)n1
InChIInChI=1S/C17H18BrN3O2/c1-11-8-12(2)21(20-11)7-3-6-19-17(22)16-10-13-9-14(18)4-5-15(13)23-16/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,22)
InChIKeyQOGXULGDXLACIK-UHFFFAOYSA-N
XLogP3.83
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 114536108
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895723
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide (CID 35760932) is 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cc3cc(Br)ccc3o2)n1.
What is the InChIKey of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is QOGXULGDXLACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-11-8-12(2)21(20-11)7-3-6-19-17(22)16-10-13-9-14(18)4-5-15(13)23-16/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,22).
What are the key properties of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide?
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35760932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).