2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide

C89H71Cl3N18O11S — CID 161309513

IUPAC2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide
SMILESCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1Cc1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.CC1=NN(c2cccc(-c3nn[nH]n3)c2)C(=O)C1Cc1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.CC1=NN(c2cccc(-c3nnn[nH]3)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1
InChIInChI=1S/C30H24ClN7O3.C30H22ClN7O3.C29H25ClN4O5S/c2*1-17-5-3-7-21(13-17)32-29(39)25-15-19(9-11-26(25)31)27-12-10-23(41-27)16-24-18(2)35-38(30(24)40)22-8-4-6-20(14-22)28-33-36-37-34-28;1-17-4-3-5-20(14-17)32-28(35)25-15-19(6-12-26(25)30)27-13-9-22(39-27)16-24-18(2)33-34(29(24)36)21-7-10-23(11-8-21)40(31,37)38/h3-15,24H,16H2,1-2H3,(H,32,39)(H,33,34,36,37);3-16H,1-2H3,(H,32,39)(H,33,34,36,37);3-15,24H,16H2,1-2H3,(H,32,35)(H2,31,37,38)/b;24-16-;
InChIKeyVIRUVZCEJYHAHS-HRAADLBQSA-N
MW1707.09 g/mol
LogP17.46
Rot. Bonds20

About 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide

2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide (PubChem CID 161309513) has the molecular formula C89H71Cl3N18O11S and a molecular weight of 1707.09 g/mol. Its IUPAC name is 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide
PubChem CID161309513
Molecular FormulaC89H71Cl3N18O11S
Molecular Weight1707.09 g/mol
Exact Mass1704.43
IUPAC Name2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide
SMILESCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1Cc1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.CC1=NN(c2cccc(-c3nn[nH]n3)c2)C(=O)C1Cc1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.CC1=NN(c2cccc(-c3nnn[nH]3)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1
InChIInChI=1S/C30H24ClN7O3.C30H22ClN7O3.C29H25ClN4O5S/c2*1-17-5-3-7-21(13-17)32-29(39)25-15-19(9-11-26(25)31)27-12-10-23(41-27)16-24-18(2)35-38(30(24)40)22-8-4-6-20(14-22)28-33-36-37-34-28;1-17-4-3-5-20(14-17)32-28(35)25-15-19(6-12-26(25)30)27-13-9-22(39-27)16-24-18(2)33-34(29(24)36)21-7-10-23(11-8-21)40(31,37)38/h3-15,24H,16H2,1-2H3,(H,32,39)(H,33,34,36,37);3-16H,1-2H3,(H,32,39)(H,33,34,36,37);3-15,24H,16H2,1-2H3,(H,32,35)(H2,31,37,38)/b;24-16-;
InChIKeyVIRUVZCEJYHAHS-HRAADLBQSA-N
XLogP17.46
TPSA393.81 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001707.09
LogP ≤ 517.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide with MolForge

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Related Compounds

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CID 158380041
3-[4-[[5-[4-chloro-3-[(3-methylphenyl)carbamoyl]phenyl]furan-2-yl]methyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid
CID 158620314
2-chloro-N-(cyclopropylmethyl)-5-[5-[(Z)-[1-[3-(3-cyclopropylpropanoyl)phenyl]-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide
CID 158322364
3-[4-[[5-[4-chloro-3-[(3-methylphenyl)carbamoyl]phenyl]thiophen-2-yl]methyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid
CID 157367752
2-chloro-5-[5-[(E)-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 5342377
5-[5-[[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 75072849
prop-2-enyl 2-chloro-5-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 50883825
prop-2-enyl 5-[5-[[1-(3-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]-2-chlorobenzoate
CID 3116341
CID 160781978
CID 160781978
ethyl 3-[4-[[5-[4-chloro-3-[(3-methoxyphenyl)carbamoyl]phenyl]furan-2-yl]methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 154597234
2-chloro-5-[5-[(Z)-[1-(4-ethoxycarbonylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 5434011
4-[(4Z)-4-[[5-(4-iodophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide
CID 50886259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide (CID 161309513) is 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide is CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1Cc1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.CC1=NN(c2cccc(-c3nn[nH]n3)c2)C(=O)C1Cc1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.CC1=NN(c2cccc(-c3nnn[nH]3)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)o1.
What is the InChIKey of 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide?
The InChIKey is VIRUVZCEJYHAHS-HRAADLBQSA-N. The full InChI is InChI=1S/C30H24ClN7O3.C30H22ClN7O3.C29H25ClN4O5S/c2*1-17-5-3-7-21(13-17)32-29(39)25-15-19(9-11-26(25)31)27-12-10-23(41-27)16-24-18(2)35-38(30(24)40)22-8-4-6-20(14-22)28-33-36-37-34-28;1-17-4-3-5-20(14-17)32-28(35)25-15-19(6-12-26(25)30)27-13-9-22(39-27)16-24-18(2)33-34(29(24)36)21-7-10-23(11-8-21)40(31,37)38/h3-15,24H,16H2,1-2H3,(H,32,39)(H,33,34,36,37);3-16H,1-2H3,(H,32,39)(H,33,34,36,37);3-15,24H,16H2,1-2H3,(H,32,35)(H2,31,37,38)/b;24-16-;.
What are the key properties of 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide?
2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 1707.09 g/mol, XLogP of 17.46, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[[3-methyl-5-oxo-1-(4-sulfamoylphenyl)-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[(Z)-[3-methyl-5-oxo-1-[3-(1H-tetrazol-5-yl)phenyl]pyrazol-4-ylidene]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide;2-chloro-5-[5-[[3-methyl-5-oxo-1-[3-(2H-tetrazol-5-yl)phenyl]-4H-pyrazol-4-yl]methyl]furan-2-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 161309513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).