2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

C26H25N5O2S — CID 74783622

IUPAC2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cc(-c3cccs3)nn2C2NC(=O)CC(c3ccccc3)N2)c1
InChIInChI=1S/C26H25N5O2S/c1-17-7-5-8-18(13-17)14-24(32)28-23-15-21(22-11-6-12-34-22)30-31(23)26-27-20(16-25(33)29-26)19-9-3-2-4-10-19/h2-13,15,20,26-27H,14,16H2,1H3,(H,28,32)(H,29,33)
InChIKeyQEJRGMPTXQATEH-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.41
Rot. Bonds6

About 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 74783622) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
PubChem CID74783622
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
SMILESCc1cccc(CC(=O)Nc2cc(-c3cccs3)nn2C2NC(=O)CC(c3ccccc3)N2)c1
InChIInChI=1S/C26H25N5O2S/c1-17-7-5-8-18(13-17)14-24(32)28-23-15-21(22-11-6-12-34-22)30-31(23)26-27-20(16-25(33)29-26)19-9-3-2-4-10-19/h2-13,15,20,26-27H,14,16H2,1H3,(H,28,32)(H,29,33)
InChIKeyQEJRGMPTXQATEH-UHFFFAOYSA-N
XLogP4.41
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 74783631
N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide
CID 74782983
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74782924
2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783822
N-[1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3-phenylpropanamide
CID 74784112
N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783648
(Z)-3-(3,4-dimethoxyphenyl)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]prop-2-enamide
CID 156593208
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 78715686
N-[5-methyl-2-(1-methyl-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 75119311
1-[(4-fluorophenyl)methyl]-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924600
1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
CID 74924709

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 74783622) is 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is Cc1cccc(CC(=O)Nc2cc(-c3cccs3)nn2C2NC(=O)CC(c3ccccc3)N2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The InChIKey is QEJRGMPTXQATEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-7-5-8-18(13-17)14-24(32)28-23-15-21(22-11-6-12-34-22)30-31(23)26-27-20(16-25(33)29-26)19-9-3-2-4-10-19/h2-13,15,20,26-27H,14,16H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 471.59 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 74783622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).