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

C25H24BrN3O3 — CID 19454562

IUPACN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)Nc3cccc(Cn4cc(Br)cn4)c3)o2)cc1
InChIInChI=1S/C25H24BrN3O3/c1-2-4-18-7-9-22(10-8-18)31-17-23-11-12-24(32-23)25(30)28-21-6-3-5-19(13-21)15-29-16-20(26)14-27-29/h3,5-14,16H,2,4,15,17H2,1H3,(H,28,30)
InChIKeyOXWXYKPLCHVLDB-UHFFFAOYSA-N
MW494.39 g/mol
LogP6.07
Rot. Bonds9

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

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19454562) has the molecular formula C25H24BrN3O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
PubChem CID19454562
Molecular FormulaC25H24BrN3O3
Molecular Weight494.39 g/mol
Exact Mass493.10
IUPAC NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)Nc3cccc(Cn4cc(Br)cn4)c3)o2)cc1
InChIInChI=1S/C25H24BrN3O3/c1-2-4-18-7-9-22(10-8-18)31-17-23-11-12-24(32-23)25(30)28-21-6-3-5-19(13-21)15-29-16-20(26)14-27-29/h3,5-14,16H,2,4,15,17H2,1H3,(H,28,30)
InChIKeyOXWXYKPLCHVLDB-UHFFFAOYSA-N
XLogP6.07
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449071
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913
5-[(3-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 19446183
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454586
5-[(4-acetylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346867
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19395530
5-[(2-bromophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19336198
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413216
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (CID 19454562) is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)Nc3cccc(Cn4cc(Br)cn4)c3)o2)cc1.
What is the InChIKey of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is OXWXYKPLCHVLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O3/c1-2-4-18-7-9-22(10-8-18)31-17-23-11-12-24(32-23)25(30)28-21-6-3-5-19(13-21)15-29-16-20(26)14-27-29/h3,5-14,16H,2,4,15,17H2,1H3,(H,28,30).
What are the key properties of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 494.39 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).