N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide

C18H23N5O2 — CID 136553611

IUPACN-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
SMILESCCc1cc(NC(=O)CN2CCC(c3ccccc3)NC2=O)n(C)n1
InChIInChI=1S/C18H23N5O2/c1-3-14-11-16(22(2)21-14)20-17(24)12-23-10-9-15(19-18(23)25)13-7-5-4-6-8-13/h4-8,11,15H,3,9-10,12H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyJZUUNNZEENUWDP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.08
Rot. Bonds5

About N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide

N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide (PubChem CID 136553611) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
PubChem CID136553611
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
SMILESCCc1cc(NC(=O)CN2CCC(c3ccccc3)NC2=O)n(C)n1
InChIInChI=1S/C18H23N5O2/c1-3-14-11-16(22(2)21-14)20-17(24)12-23-10-9-15(19-18(23)25)13-7-5-4-6-8-13/h4-8,11,15H,3,9-10,12H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyJZUUNNZEENUWDP-UHFFFAOYSA-N
XLogP2.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide (CID 136553611) is N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide is CCc1cc(NC(=O)CN2CCC(c3ccccc3)NC2=O)n(C)n1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
The InChIKey is JZUUNNZEENUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-14-11-16(22(2)21-14)20-17(24)12-23-10-9-15(19-18(23)25)13-7-5-4-6-8-13/h4-8,11,15H,3,9-10,12H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide?
N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 136553611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).