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

C19H26N6O2 — CID 74924844

IUPAC1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)Nc2cccc(C)c2)NC1C
InChIInChI=1S/C19H26N6O2/c1-5-15-13(4)20-18(23-17(15)26)25-16(10-12(3)24-25)22-19(27)21-14-8-6-7-11(2)9-14/h6-10,13,15,18,20H,5H2,1-4H3,(H,23,26)(H2,21,22,27)
InChIKeyCVAGWZMFLMEAEY-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.73
Rot. Bonds4

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

1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea (PubChem CID 74924844) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
PubChem CID74924844
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)Nc2cccc(C)c2)NC1C
InChIInChI=1S/C19H26N6O2/c1-5-15-13(4)20-18(23-17(15)26)25-16(10-12(3)24-25)22-19(27)21-14-8-6-7-11(2)9-14/h6-10,13,15,18,20H,5H2,1-4H3,(H,23,26)(H2,21,22,27)
InChIKeyCVAGWZMFLMEAEY-UHFFFAOYSA-N
XLogP2.73
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 78715484
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 78715686
1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
1-[3-tert-butyl-1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3-methoxyphenyl)urea
CID 74924870
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 74711447
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
2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78715568
1-(3-chlorophenyl)-3-[5-methyl-2-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925015
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
1-benzhydryl-3-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924728
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
N-[5-methyl-2-(1-methyl-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 75119311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea (CID 74924844) is 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea is CCC1C(=O)NC(n2nc(C)cc2NC(=O)Nc2cccc(C)c2)NC1C.
What is the InChIKey of 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
The InChIKey is CVAGWZMFLMEAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-5-15-13(4)20-18(23-17(15)26)25-16(10-12(3)24-25)22-19(27)21-14-8-6-7-11(2)9-14/h6-10,13,15,18,20H,5H2,1-4H3,(H,23,26)(H2,21,22,27).
What are the key properties of 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea?
1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea has a molecular weight of 370.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 74924844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).