5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide

C16H14BrN3O3 — CID 60508098

IUPAC5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cn1
InChIInChI=1S/C16H14BrN3O3/c1-20-9-12(8-18-20)19-16(21)15-6-5-14(23-15)10-22-13-4-2-3-11(17)7-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyVFGHMHNVRQYWFW-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.61
Rot. Bonds5

About 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide

5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 60508098) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
PubChem CID60508098
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cn1
InChIInChI=1S/C16H14BrN3O3/c1-20-9-12(8-18-20)19-16(21)15-6-5-14(23-15)10-22-13-4-2-3-11(17)7-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyVFGHMHNVRQYWFW-UHFFFAOYSA-N
XLogP3.61
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dimethylphenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60566843
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]phenoxy]acetate
CID 55779946
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide
CID 56559319
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55848411
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744588
5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55778152
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide (CID 60508098) is 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide is Cn1cc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cn1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is VFGHMHNVRQYWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-20-9-12(8-18-20)19-16(21)15-6-5-14(23-15)10-22-13-4-2-3-11(17)7-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide?
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 60508098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).