N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

C18H18BrN3O4 — CID 19282730

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)NCCn3cc(Br)cn3)o2)c1
InChIInChI=1S/C18H18BrN3O4/c1-24-14-3-2-4-15(9-14)25-12-16-5-6-17(26-16)18(23)20-7-8-22-11-13(19)10-21-22/h2-6,9-11H,7-8,12H2,1H3,(H,20,23)
InChIKeyNXYXGQQKIAZJIU-UHFFFAOYSA-N
MW420.26 g/mol
LogP3.26
Rot. Bonds8

About N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19282730) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19282730
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)NCCn3cc(Br)cn3)o2)c1
InChIInChI=1S/C18H18BrN3O4/c1-24-14-3-2-4-15(9-14)25-12-16-5-6-17(26-16)18(23)20-7-8-22-11-13(19)10-21-22/h2-6,9-11H,7-8,12H2,1H3,(H,20,23)
InChIKeyNXYXGQQKIAZJIU-UHFFFAOYSA-N
XLogP3.26
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19282861
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19297483
5-[(4-acetylphenoxy)methyl]-N-[3-(4-bromopyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297569
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19297574
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913
1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398338
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454562
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 19282928
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19297459
methyl 4-[[5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449071
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19282730) is N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)NCCn3cc(Br)cn3)o2)c1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is NXYXGQQKIAZJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c1-24-14-3-2-4-15(9-14)25-12-16-5-6-17(26-16)18(23)20-7-8-22-11-13(19)10-21-22/h2-6,9-11H,7-8,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 420.26 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19282730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).