ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

C24H19Cl2N3O5 — CID 19456865

IUPACethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C24H19Cl2N3O5/c1-2-32-24(31)18-13-27-29(16-6-4-3-5-7-16)22(18)28-23(30)21-11-9-17(34-21)14-33-20-10-8-15(25)12-19(20)26/h3-13H,2,14H2,1H3,(H,28,30)
InChIKeyICWNTJYITGXYGW-UHFFFAOYSA-N
MW500.34 g/mol
LogP5.78
Rot. Bonds8

About ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 19456865) has the molecular formula C24H19Cl2N3O5 and a molecular weight of 500.34 g/mol. Its IUPAC name is ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID19456865
Molecular FormulaC24H19Cl2N3O5
Molecular Weight500.34 g/mol
Exact Mass499.07
IUPAC Nameethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C24H19Cl2N3O5/c1-2-32-24(31)18-13-27-29(16-6-4-3-5-7-16)22(18)28-23(30)21-11-9-17(34-21)14-33-20-10-8-15(25)12-19(20)26/h3-13H,2,14H2,1H3,(H,28,30)
InChIKeyICWNTJYITGXYGW-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate 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

ethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19467524
ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 5014321
ethyl 1-phenyl-5-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
CID 19414065
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19475829
ethyl 5-[[2-(4-chlorophenyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 5086610
ethyl 1-methyl-5-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
CID 19461156
N-(4-cyano-1-phenylpyrazol-5-yl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452784
ethyl 5-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 108761442
ethyl 5-[[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19265141
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (CID 19456865) is ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is ICWNTJYITGXYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O5/c1-2-32-24(31)18-13-27-29(16-6-4-3-5-7-16)22(18)28-23(30)21-11-9-17(34-21)14-33-20-10-8-15(25)12-19(20)26/h3-13H,2,14H2,1H3,(H,28,30).
What are the key properties of ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 500.34 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 19456865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).