N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide

C22H17BrClN3O3 — CID 19397489

IUPACN-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C22H17BrClN3O3/c23-16-6-8-20(19(24)10-16)29-14-18-7-9-21(30-18)22(28)26-17-11-25-27(13-17)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,26,28)
InChIKeyJJLPSICSYMYRRW-UHFFFAOYSA-N
MW486.75 g/mol
LogP5.77
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide

N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19397489) has the molecular formula C22H17BrClN3O3 and a molecular weight of 486.75 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19397489
Molecular FormulaC22H17BrClN3O3
Molecular Weight486.75 g/mol
Exact Mass485.01
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C22H17BrClN3O3/c23-16-6-8-20(19(24)10-16)29-14-18-7-9-21(30-18)22(28)26-17-11-25-27(13-17)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,26,28)
InChIKeyJJLPSICSYMYRRW-UHFFFAOYSA-N
XLogP5.77
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)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-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19408811
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19406407
5-[(2-bromophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450410
5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19338208
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744605
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19408792
5-[(2-bromophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19336198
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19395593
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19410358
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19338279
5-[(2-bromophenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346796
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide (CID 19397489) is N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(COc2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is JJLPSICSYMYRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClN3O3/c23-16-6-8-20(19(24)10-16)29-14-18-7-9-21(30-18)22(28)26-17-11-25-27(13-17)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,26,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 486.75 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19397489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).