N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide

C20H27N5O3 — CID 78715666

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)COc2ccccc2C)NC1C
InChIInChI=1S/C20H27N5O3/c1-5-15-14(4)21-20(23-19(15)27)25-17(10-13(3)24-25)22-18(26)11-28-16-9-7-6-8-12(16)2/h6-10,14-15,20-21H,5,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQNFJLNFPCULZRE-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 78715666) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID78715666
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)COc2ccccc2C)NC1C
InChIInChI=1S/C20H27N5O3/c1-5-15-14(4)21-20(23-19(15)27)25-17(10-13(3)24-25)22-18(26)11-28-16-9-7-6-8-12(16)2/h6-10,14-15,20-21H,5,11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQNFJLNFPCULZRE-UHFFFAOYSA-N
XLogP2.11
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 74711447
N-[2-[1-(4-fluorophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 74415579
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 78715484
2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74753944
2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78715568
N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 27543096
1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
N-[5-methyl-2-(4-oxo-1-phenyl-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 74415534
N-[2-[1-(3,4-dimethylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 74533142
1-benzhydryl-3-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924728
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide (CID 78715666) is N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide is CCC1C(=O)NC(n2nc(C)cc2NC(=O)COc2ccccc2C)NC1C.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is QNFJLNFPCULZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-5-15-14(4)21-20(23-19(15)27)25-17(10-13(3)24-25)22-18(26)11-28-16-9-7-6-8-12(16)2/h6-10,14-15,20-21H,5,11H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 385.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 78715666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).