ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate

C29H25N3O4S — CID 118727556

IUPACethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C29H25N3O4S/c1-4-36-29(33)27-26(19-13-15-22(34-2)16-14-19)30-28(37-27)24-18-32(21-10-6-5-7-11-21)31-25(24)20-9-8-12-23(17-20)35-3/h5-18H,4H2,1-3H3
InChIKeyWOUWKAWRSJYYMX-UHFFFAOYSA-N
MW511.60 g/mol
LogP6.52
Rot. Bonds8

About ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate

ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 118727556) has the molecular formula C29H25N3O4S and a molecular weight of 511.60 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
PubChem CID118727556
Molecular FormulaC29H25N3O4S
Molecular Weight511.60 g/mol
Exact Mass511.16
IUPAC Nameethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C29H25N3O4S/c1-4-36-29(33)27-26(19-13-15-22(34-2)16-14-19)30-28(37-27)24-18-32(21-10-6-5-7-11-21)31-25(24)20-9-8-12-23(17-20)35-3/h5-18H,4H2,1-3H3
InChIKeyWOUWKAWRSJYYMX-UHFFFAOYSA-N
XLogP6.52
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-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

(E)-3-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]but-3-enoic acid
CID 5946685
2-[3-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-6-methylchromen-4-one
CID 155541173
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727551
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727552
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 118727553
Ethyl 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727555
Ethyl 4-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727557
Ethyl 4-(4-chlorophenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727558
Ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727559
Ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727560
Ethyl 4-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727561
Ethyl 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 118727564

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate (CID 118727556) is ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)nc1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is WOUWKAWRSJYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4S/c1-4-36-29(33)27-26(19-13-15-22(34-2)16-14-19)30-28(37-27)24-18-32(21-10-6-5-7-11-21)31-25(24)20-9-8-12-23(17-20)35-3/h5-18H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 511.60 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 118727556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).