N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide

C20H22BrN3O3 — CID 19297483

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)NCCCn3cc(Br)cn3)o2)c1
InChIInChI=1S/C20H22BrN3O3/c1-14-8-15(2)10-18(9-14)26-13-17-4-5-19(27-17)20(25)22-6-3-7-24-12-16(21)11-23-24/h4-5,8-12H,3,6-7,13H2,1-2H3,(H,22,25)
InChIKeyVGDHETULDXYBKS-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.25
Rot. Bonds8

About N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide

N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19297483) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19297483
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)NCCCn3cc(Br)cn3)o2)c1
InChIInChI=1S/C20H22BrN3O3/c1-14-8-15(2)10-18(9-14)26-13-17-4-5-19(27-17)20(25)22-6-3-7-24-12-16(21)11-23-24/h4-5,8-12H,3,6-7,13H2,1-2H3,(H,22,25)
InChIKeyVGDHETULDXYBKS-UHFFFAOYSA-N
XLogP4.25
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-acetylphenoxy)methyl]-N-[3-(4-bromopyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297569
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19297574
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
methyl 4-[[5-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19282861
N-[3-(4-methylpyrazol-1-yl)propyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19328019
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19297459
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19295449
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
5-[(4-bromophenoxy)methyl]-N-[2-(4-chloropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283408
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19297483) is N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)NCCCn3cc(Br)cn3)o2)c1.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is VGDHETULDXYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-14-8-15(2)10-18(9-14)26-13-17-4-5-19(27-17)20(25)22-6-3-7-24-12-16(21)11-23-24/h4-5,8-12H,3,6-7,13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 4.25, 8 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)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19297483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).