1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea

C22H24N6O2 — CID 74924709

IUPAC1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
SMILESCCC1CC(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)Nc2ccccc2)N1
InChIInChI=1S/C22H24N6O2/c1-2-16-13-20(29)26-21(23-16)28-19(14-18(27-28)15-9-5-3-6-10-15)25-22(30)24-17-11-7-4-8-12-17/h3-12,14,16,21,23H,2,13H2,1H3,(H,26,29)(H2,24,25,30)
InChIKeyWXYXKQDRUBWBIM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.54
Rot. Bonds5

About 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea

1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea (PubChem CID 74924709) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
PubChem CID74924709
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
SMILESCCC1CC(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)Nc2ccccc2)N1
InChIInChI=1S/C22H24N6O2/c1-2-16-13-20(29)26-21(23-16)28-19(14-18(27-28)15-9-5-3-6-10-15)25-22(30)24-17-11-7-4-8-12-17/h3-12,14,16,21,23H,2,13H2,1H3,(H,26,29)(H2,24,25,30)
InChIKeyWXYXKQDRUBWBIM-UHFFFAOYSA-N
XLogP3.54
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924708
1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924593
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
1-[(4-fluorophenyl)methyl]-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924600
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
CID 74924579
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632
N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide
CID 74782983
1-(1,3-benzodioxol-5-yl)-3-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924903
1-(3,4-dichlorophenyl)-3-[1-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924790
1-[3-tert-butyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 74924661
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea (CID 74924709) is 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea is CCC1CC(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)Nc2ccccc2)N1.
What is the InChIKey of 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea?
The InChIKey is WXYXKQDRUBWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-2-16-13-20(29)26-21(23-16)28-19(14-18(27-28)15-9-5-3-6-10-15)25-22(30)24-17-11-7-4-8-12-17/h3-12,14,16,21,23H,2,13H2,1H3,(H,26,29)(H2,24,25,30).
What are the key properties of 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea?
1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea has a molecular weight of 404.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea is sourced from PubChem (CID 74924709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).