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

C20H27N5O2 — CID 74711447

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)CCc2ccccc2)NC1C
InChIInChI=1S/C20H27N5O2/c1-4-16-14(3)21-20(23-19(16)27)25-17(12-13(2)24-25)22-18(26)11-10-15-8-6-5-7-9-15/h5-9,12,14,16,20-21H,4,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyDKZBHZNLOODJMG-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.35
Rot. Bonds6

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

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide (PubChem CID 74711447) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
PubChem CID74711447
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)CCc2ccccc2)NC1C
InChIInChI=1S/C20H27N5O2/c1-4-16-14(3)21-20(23-19(16)27)25-17(12-13(2)24-25)22-18(26)11-10-15-8-6-5-7-9-15/h5-9,12,14,16,20-21H,4,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyDKZBHZNLOODJMG-UHFFFAOYSA-N
XLogP2.35
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 78715686
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 78715666
1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 74924844
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-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
1-benzhydryl-3-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924728
N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783648
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
CID 74797561
1-[3-tert-butyl-1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924849
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
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
CID 78713882
3-(4-chlorophenyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)propanamide
CID 35593226

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]-3-phenylpropanamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide (CID 74711447) is N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide is CCC1C(=O)NC(n2nc(C)cc2NC(=O)CCc2ccccc2)NC1C.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is DKZBHZNLOODJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-16-14(3)21-20(23-19(16)27)25-17(12-13(2)24-25)22-18(26)11-10-15-8-6-5-7-9-15/h5-9,12,14,16,20-21H,4,10-11H2,1-3H3,(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]-3-phenylpropanamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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]-3-phenylpropanamide is sourced from PubChem (CID 74711447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).