2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C19H13N3O3S — CID 44611631

IUPAC2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2)n1
InChIInChI=1S/C19H13N3O3S/c23-17-15(12-7-3-1-4-8-12)21-22(16(17)13-9-5-2-6-10-13)19-20-14(11-26-19)18(24)25/h1-11,23H,(H,24,25)
InChIKeyRMIFJFCVPBUPGD-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 44611631) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID44611631
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2)n1
InChIInChI=1S/C19H13N3O3S/c23-17-15(12-7-3-1-4-8-12)21-22(16(17)13-9-5-2-6-10-13)19-20-14(11-26-19)18(24)25/h1-11,23H,(H,24,25)
InChIKeyRMIFJFCVPBUPGD-UHFFFAOYSA-N
XLogP4.07
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633
2-[4-methyl-3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44612019
2-(3,6-diphenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179873
2-[5-(3,4-difluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179271
2-(4-methyl-3-phenyl-5-quinolin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179278
2-[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179254
2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 158102003
ethyl 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67071978
2-[3-phenyl-6-(propylsulfonylamino)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179976
2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611642
2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179955
2-[6-[(3-fluorophenyl)methylamino]-3-phenylindazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179897

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 44611631) is 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2)n1.
What is the InChIKey of 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RMIFJFCVPBUPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-17-15(12-7-3-1-4-8-12)21-22(16(17)13-9-5-2-6-10-13)19-20-14(11-26-19)18(24)25/h1-11,23H,(H,24,25).
What are the key properties of 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 363.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 44611631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).