2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C20H13N3O2S — CID 59179305

IUPAC2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2C3)n1
InChIInChI=1S/C20H13N3O2S/c24-19(25)16-11-26-20(21-16)23-18-14-9-5-4-8-13(14)10-15(18)17(22-23)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,25)
InChIKeyDJWBYDZPZJLPAI-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.27
Rot. Bonds3

About 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179305) has the molecular formula C20H13N3O2S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179305
Molecular FormulaC20H13N3O2S
Molecular Weight359.41 g/mol
Exact Mass359.07
IUPAC Name2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2C3)n1
InChIInChI=1S/C20H13N3O2S/c24-19(25)16-11-26-20(21-16)23-18-14-9-5-4-8-13(14)10-15(18)17(22-23)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,25)
InChIKeyDJWBYDZPZJLPAI-UHFFFAOYSA-N
XLogP4.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179305) is 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2-c2ccccc2C3)n1.
What is the InChIKey of 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DJWBYDZPZJLPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S/c24-19(25)16-11-26-20(21-16)23-18-14-9-5-4-8-13(14)10-15(18)17(22-23)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,25).
What are the key properties of 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 359.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).