ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate

C19H17N3O5S — CID 166175673

IUPACethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate
SMILESCCOC(=O)c1cnn2c3ccccc3n(S(=O)(=O)c3ccc(OC)cc3)c12
InChIInChI=1S/C19H17N3O5S/c1-3-27-19(23)15-12-20-21-16-6-4-5-7-17(16)22(18(15)21)28(24,25)14-10-8-13(26-2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyIESIHHAPBLZGTL-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.71
Rot. Bonds5

About ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate

ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate (PubChem CID 166175673) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate
PubChem CID166175673
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Nameethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate
SMILESCCOC(=O)c1cnn2c3ccccc3n(S(=O)(=O)c3ccc(OC)cc3)c12
InChIInChI=1S/C19H17N3O5S/c1-3-27-19(23)15-12-20-21-16-6-4-5-7-17(16)22(18(15)21)28(24,25)14-10-8-13(26-2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyIESIHHAPBLZGTL-UHFFFAOYSA-N
XLogP2.71
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-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

2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 166175638
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
CID 10937613
ethyl 5-[bis(methylsulfonyl)amino]-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 10526009
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
ethyl 1-(4-methoxyphenyl)-5-[methyl(methylsulfonyl)amino]pyrazole-4-carboxylate
CID 10570059
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961
3-ethoxycarbonyl-5-methylpyridazino[1,6-a]benzimidazol-5-ium-4-olate
CID 10445877
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate (CID 166175673) is ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate is CCOC(=O)c1cnn2c3ccccc3n(S(=O)(=O)c3ccc(OC)cc3)c12.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate?
The InChIKey is IESIHHAPBLZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-3-27-19(23)15-12-20-21-16-6-4-5-7-17(16)22(18(15)21)28(24,25)14-10-8-13(26-2)9-11-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate?
ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate has a molecular weight of 399.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate is sourced from PubChem (CID 166175673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).