1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea

C19H26N6O3 — CID 74924632

IUPAC1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(C)nn1C1NC(=O)CC(CC)N1
InChIInChI=1S/C19H26N6O3/c1-4-13-11-17(26)23-18(20-13)25-16(10-12(3)24-25)22-19(27)21-14-8-6-7-9-15(14)28-5-2/h6-10,13,18,20H,4-5,11H2,1-3H3,(H,23,26)(H2,21,22,27)
InChIKeyUXRJLNXXDJDDAM-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.58
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea

1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea (PubChem CID 74924632) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
PubChem CID74924632
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(C)nn1C1NC(=O)CC(CC)N1
InChIInChI=1S/C19H26N6O3/c1-4-13-11-17(26)23-18(20-13)25-16(10-12(3)24-25)22-19(27)21-14-8-6-7-9-15(14)28-5-2/h6-10,13,18,20H,4-5,11H2,1-3H3,(H,23,26)(H2,21,22,27)
InChIKeyUXRJLNXXDJDDAM-UHFFFAOYSA-N
XLogP2.58
TPSA109.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
1-(1,3-benzodioxol-5-yl)-3-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924708
N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339912
(7R)-N-(2-ethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135783441
(7R)-N-(2-ethoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135554889
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 6468024
cis-(1S,2R)-N-(2-ethoxyphenyl)-2-methyl-4-oxocyclohexane-1-carboxamide
CID 97248669
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996805
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea (CID 74924632) is 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea is CCOc1ccccc1NC(=O)Nc1cc(C)nn1C1NC(=O)CC(CC)N1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
The InChIKey is UXRJLNXXDJDDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-4-13-11-17(26)23-18(20-13)25-16(10-12(3)24-25)22-19(27)21-14-8-6-7-9-15(14)28-5-2/h6-10,13,18,20H,4-5,11H2,1-3H3,(H,23,26)(H2,21,22,27).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea has a molecular weight of 386.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea is sourced from PubChem (CID 74924632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).