(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide

C16H18N4O3 — CID 97066023

IUPAC(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
SMILESCc1[nH]ncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H18N4O3/c1-11-13(7-17-19-11)18-16(22)14-9-23-10-15(21)20(14)8-12-5-3-2-4-6-12/h2-7,14H,8-10H2,1H3,(H,17,19)(H,18,22)/t14-/m0/s1
InChIKeyYYPQBNOVPHHOQP-AWEZNQCLSA-N
MW314.34 g/mol
LogP1.08
Rot. Bonds4

About (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide

(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide (PubChem CID 97066023) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
PubChem CID97066023
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
SMILESCc1[nH]ncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C16H18N4O3/c1-11-13(7-17-19-11)18-16(22)14-9-23-10-15(21)20(14)8-12-5-3-2-4-6-12/h2-7,14H,8-10H2,1H3,(H,17,19)(H,18,22)/t14-/m0/s1
InChIKeyYYPQBNOVPHHOQP-AWEZNQCLSA-N
XLogP1.08
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide (CID 97066023) is (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide is Cc1[nH]ncc1NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide?
The InChIKey is YYPQBNOVPHHOQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-13(7-17-19-11)18-16(22)14-9-23-10-15(21)20(14)8-12-5-3-2-4-6-12/h2-7,14H,8-10H2,1H3,(H,17,19)(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide?
(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 97066023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).