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

C25H23ClFN3O3 — CID 19345533

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(F)cc4Cl)n3)o2)cc1
InChIInChI=1S/C25H23ClFN3O3/c1-3-17-4-8-20(9-5-17)32-15-21-10-11-23(33-21)25(31)28-24-12-16(2)30(29-24)14-18-6-7-19(27)13-22(18)26/h4-13H,3,14-15H2,1-2H3,(H,28,29,31)
InChIKeyPJGRGWIQQFYGGX-UHFFFAOYSA-N
MW467.93 g/mol
LogP6.02
Rot. Bonds8

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19345533) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19345533
Molecular FormulaC25H23ClFN3O3
Molecular Weight467.93 g/mol
Exact Mass467.14
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(F)cc4Cl)n3)o2)cc1
InChIInChI=1S/C25H23ClFN3O3/c1-3-17-4-8-20(9-5-17)32-15-21-10-11-23(33-21)25(31)28-24-12-16(2)30(29-24)14-18-6-7-19(27)13-22(18)26/h4-13H,3,14-15H2,1-2H3,(H,28,29,31)
InChIKeyPJGRGWIQQFYGGX-UHFFFAOYSA-N
XLogP6.02
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)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

N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 19345522
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19345599
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19345492
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345604
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19337176
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19337126
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19393064
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19337267
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19345682
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485
5-[(2-chloro-6-methylphenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 19337274

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide (CID 19345533) is N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide is CCc1ccc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(F)cc4Cl)n3)o2)cc1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is PJGRGWIQQFYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c1-3-17-4-8-20(9-5-17)32-15-21-10-11-23(33-21)25(31)28-24-12-16(2)30(29-24)14-18-6-7-19(27)13-22(18)26/h4-13H,3,14-15H2,1-2H3,(H,28,29,31).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19345533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).