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

C19H14N4O2S — CID 59179260

IUPAC2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1
InChIInChI=1S/C19H14N4O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,20H2,(H,24,25)
InChIKeyYIJWSWGNFRVEHD-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.94
Rot. Bonds4

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

2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179260) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179260
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1
InChIInChI=1S/C19H14N4O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,20H2,(H,24,25)
InChIKeyYIJWSWGNFRVEHD-UHFFFAOYSA-N
XLogP3.94
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179260) is 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is Nc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1.
What is the InChIKey of 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YIJWSWGNFRVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c20-15-16(12-7-3-1-4-8-12)22-23(17(15)13-9-5-2-6-10-13)19-21-14(11-26-19)18(24)25/h1-11H,20H2,(H,24,25).
What are the key properties of 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).