2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol

C21H19N3O3S — CID 135553737

IUPAC2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol
SMILESCOc1ccc(-c2c(-c3csc(C)n3)cnn2-c2ccccc2)c(O)c1OC
InChIInChI=1S/C21H19N3O3S/c1-13-23-17(12-28-13)16-11-22-24(14-7-5-4-6-8-14)19(16)15-9-10-18(26-2)21(27-3)20(15)25/h4-12,25H,1-3H3
InChIKeyZDZSJULKODELJS-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.69
Rot. Bonds5

About 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol

2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol (PubChem CID 135553737) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol
PubChem CID135553737
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol
SMILESCOc1ccc(-c2c(-c3csc(C)n3)cnn2-c2ccccc2)c(O)c1OC
InChIInChI=1S/C21H19N3O3S/c1-13-23-17(12-28-13)16-11-22-24(14-7-5-4-6-8-14)19(16)15-9-10-18(26-2)21(27-3)20(15)25/h4-12,25H,1-3H3
InChIKeyZDZSJULKODELJS-UHFFFAOYSA-N
XLogP4.69
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol?
The IUPAC name of 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol (CID 135553737) is 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol is COc1ccc(-c2c(-c3csc(C)n3)cnn2-c2ccccc2)c(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol?
The InChIKey is ZDZSJULKODELJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-23-17(12-28-13)16-11-22-24(14-7-5-4-6-8-14)19(16)15-9-10-18(26-2)21(27-3)20(15)25/h4-12,25H,1-3H3.
What are the key properties of 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol?
2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol has a molecular weight of 393.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 135553737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).