2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide

C19H16N4OS — CID 42888150

IUPAC2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)16-13-17(14-7-3-1-4-8-14)23(22-16)15-9-5-2-6-10-15/h1-12,17H,13H2,(H,20,21,24)
InChIKeyKERJYMAUPQOAFO-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.09
Rot. Bonds4

About 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide

2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 42888150) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID42888150
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)16-13-17(14-7-3-1-4-8-14)23(22-16)15-9-5-2-6-10-15/h1-12,17H,13H2,(H,20,21,24)
InChIKeyKERJYMAUPQOAFO-UHFFFAOYSA-N
XLogP4.09
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide 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-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide (CID 42888150) is 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide is O=C(Nc1nccs1)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KERJYMAUPQOAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-18(21-19-20-11-12-25-19)16-13-17(14-7-3-1-4-8-14)23(22-16)15-9-5-2-6-10-15/h1-12,17H,13H2,(H,20,21,24).
What are the key properties of 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide?
2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 42888150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).