(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide

C13H19N5O2 — CID 156591279

IUPAC(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1cc(C)nn1C1NC(=O)CC(C)N1
InChIInChI=1S/C13H19N5O2/c1-4-5-11(19)15-10-6-9(3)17-18(10)13-14-8(2)7-12(20)16-13/h4-6,8,13-14H,7H2,1-3H3,(H,15,19)(H,16,20)/b5-4+
InChIKeyCVZJAJUQOFQVRC-SNAWJCMRSA-N
MW277.33 g/mol
LogP0.66
Rot. Bonds3

About (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide

(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide (PubChem CID 156591279) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
PubChem CID156591279
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
SMILESC/C=C/C(=O)Nc1cc(C)nn1C1NC(=O)CC(C)N1
InChIInChI=1S/C13H19N5O2/c1-4-5-11(19)15-10-6-9(3)17-18(10)13-14-8(2)7-12(20)16-13/h4-6,8,13-14H,7H2,1-3H3,(H,15,19)(H,16,20)/b5-4+
InChIKeyCVZJAJUQOFQVRC-SNAWJCMRSA-N
XLogP0.66
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide?
The IUPAC name of (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide (CID 156591279) is (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide?
The canonical SMILES for (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide is C/C=C/C(=O)Nc1cc(C)nn1C1NC(=O)CC(C)N1.
What is the InChIKey of (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide?
The InChIKey is CVZJAJUQOFQVRC-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-5-11(19)15-10-6-9(3)17-18(10)13-14-8(2)7-12(20)16-13/h4-6,8,13-14H,7H2,1-3H3,(H,15,19)(H,16,20)/b5-4+.
What are the key properties of (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide?
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide is sourced from PubChem (CID 156591279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).