2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide

C15H23N5O3 — CID 164639032

IUPAC2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
SMILESCC(C)C[C@H](C)n1nccc1NC(=O)CN1CCC(=O)NC1=O
InChIInChI=1S/C15H23N5O3/c1-10(2)8-11(3)20-12(4-6-16-20)17-14(22)9-19-7-5-13(21)18-15(19)23/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,22)(H,18,21,23)/t11-/m0/s1
InChIKeyAYWFUANYVADKBX-NSHDSACASA-N
MW321.38 g/mol
LogP1.37
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide (PubChem CID 164639032) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
PubChem CID164639032
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
SMILESCC(C)C[C@H](C)n1nccc1NC(=O)CN1CCC(=O)NC1=O
InChIInChI=1S/C15H23N5O3/c1-10(2)8-11(3)20-12(4-6-16-20)17-14(22)9-19-7-5-13(21)18-15(19)23/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,22)(H,18,21,23)/t11-/m0/s1
InChIKeyAYWFUANYVADKBX-NSHDSACASA-N
XLogP1.37
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide (CID 164639032) is 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide is CC(C)C[C@H](C)n1nccc1NC(=O)CN1CCC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide?
The InChIKey is AYWFUANYVADKBX-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10(2)8-11(3)20-12(4-6-16-20)17-14(22)9-19-7-5-13(21)18-15(19)23/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,22)(H,18,21,23)/t11-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide?
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 164639032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).