methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate

C24H19Cl2N3O5 — CID 19287852

IUPACmethyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3nn(Cc4ccccc4Cl)cc3Cl)o2)cc1
InChIInChI=1S/C24H19Cl2N3O5/c1-32-24(31)15-6-8-17(9-7-15)33-14-18-10-11-21(34-18)23(30)27-22-20(26)13-29(28-22)12-16-4-2-3-5-19(16)25/h2-11,13H,12,14H2,1H3,(H,27,28,30)
InChIKeyLZOQMAAIYJPPRJ-UHFFFAOYSA-N
MW500.34 g/mol
LogP5.45
Rot. Bonds8

About methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19287852) has the molecular formula C24H19Cl2N3O5 and a molecular weight of 500.34 g/mol. Its IUPAC name is methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19287852
Molecular FormulaC24H19Cl2N3O5
Molecular Weight500.34 g/mol
Exact Mass499.07
IUPAC Namemethyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3nn(Cc4ccccc4Cl)cc3Cl)o2)cc1
InChIInChI=1S/C24H19Cl2N3O5/c1-32-24(31)15-6-8-17(9-7-15)33-14-18-10-11-21(34-18)23(30)27-22-20(26)13-29(28-22)12-16-4-2-3-5-19(16)25/h2-11,13H,12,14H2,1H3,(H,27,28,30)
InChIKeyLZOQMAAIYJPPRJ-UHFFFAOYSA-N
XLogP5.45
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.34
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 4-[[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19285444
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400726
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19405260
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19405248
methyl 4-[[5-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19394653
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400631
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19400683
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450922
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19400673
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19287109
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19400734
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467344

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate (CID 19287852) is methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(=O)Nc3nn(Cc4ccccc4Cl)cc3Cl)o2)cc1.
What is the InChIKey of methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is LZOQMAAIYJPPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O5/c1-32-24(31)15-6-8-17(9-7-15)33-14-18-10-11-21(34-18)23(30)27-22-20(26)13-29(28-22)12-16-4-2-3-5-19(16)25/h2-11,13H,12,14H2,1H3,(H,27,28,30).
What are the key properties of methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 500.34 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19287852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).