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

C21H23N5O2S — CID 74783648

IUPACN-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccs2)nn1C1NC(=O)C(Cc2ccccc2)C(C)N1
InChIInChI=1S/C21H23N5O2S/c1-13-16(11-15-7-4-3-5-8-15)20(28)24-21(22-13)26-19(23-14(2)27)12-17(25-26)18-9-6-10-29-18/h3-10,12-13,16,21-22H,11H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyPKGVGZDYOZTQNT-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.99
Rot. Bonds5

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

N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 74783648) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
PubChem CID74783648
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccs2)nn1C1NC(=O)C(Cc2ccccc2)C(C)N1
InChIInChI=1S/C21H23N5O2S/c1-13-16(11-15-7-4-3-5-8-15)20(28)24-21(22-13)26-19(23-14(2)27)12-17(25-26)18-9-6-10-29-18/h3-10,12-13,16,21-22H,11H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyPKGVGZDYOZTQNT-UHFFFAOYSA-N
XLogP2.99
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide
CID 74782983
2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783622
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 74711447
2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74782924
1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 74783631
(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
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
1-[3-tert-butyl-1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3-phenylpropyl)urea
CID 74924873
1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 74924844

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 74783648) is N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is CC(=O)Nc1cc(-c2cccs2)nn1C1NC(=O)C(Cc2ccccc2)C(C)N1.
What is the InChIKey of N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The InChIKey is PKGVGZDYOZTQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13-16(11-15-7-4-3-5-8-15)20(28)24-21(22-13)26-19(23-14(2)27)12-17(25-26)18-9-6-10-29-18/h3-10,12-13,16,21-22H,11H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 74783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).