N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

C22H18N4O2S — CID 2439795

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)nc1C
InChIInChI=1S/C22H18N4O2S/c1-14-20(15(2)27)29-22(23-14)24-21(28)19-13-18(16-9-5-3-6-10-16)25-26(19)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,23,24,28)
InChIKeyISSRJLYZXLLZQO-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.76
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 2439795) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID2439795
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)nc1C
InChIInChI=1S/C22H18N4O2S/c1-14-20(15(2)27)29-22(23-14)24-21(28)19-13-18(16-9-5-3-6-10-16)25-26(19)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,23,24,28)
InChIKeyISSRJLYZXLLZQO-UHFFFAOYSA-N
XLogP4.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (CID 2439795) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is CC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is ISSRJLYZXLLZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-20(15(2)27)29-22(23-14)24-21(28)19-13-18(16-9-5-3-6-10-16)25-26(19)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,23,24,28).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 2439795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).