(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide

C14H22N4O3 — CID 124994949

IUPAC(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide
SMILESCCn1nc(NC(=O)[C@]2(C)CN(C(C)=O)CCO2)cc1C
InChIInChI=1S/C14H22N4O3/c1-5-18-10(2)8-12(16-18)15-13(20)14(4)9-17(11(3)19)6-7-21-14/h8H,5-7,9H2,1-4H3,(H,15,16,20)/t14-/m0/s1
InChIKeyQIKZHEWYYPUPAQ-AWEZNQCLSA-N
MW294.36 g/mol
LogP0.79
Rot. Bonds3

About (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide

(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide (PubChem CID 124994949) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide
PubChem CID124994949
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide
SMILESCCn1nc(NC(=O)[C@]2(C)CN(C(C)=O)CCO2)cc1C
InChIInChI=1S/C14H22N4O3/c1-5-18-10(2)8-12(16-18)15-13(20)14(4)9-17(11(3)19)6-7-21-14/h8H,5-7,9H2,1-4H3,(H,15,16,20)/t14-/m0/s1
InChIKeyQIKZHEWYYPUPAQ-AWEZNQCLSA-N
XLogP0.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
CID 92632600
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide
CID 125022537
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023247
(2R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023248
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
CID 124986827
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
CID 125012356
(2S)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953808

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide (CID 124994949) is (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide is CCn1nc(NC(=O)[C@]2(C)CN(C(C)=O)CCO2)cc1C.
What is the InChIKey of (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide?
The InChIKey is QIKZHEWYYPUPAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-18-10(2)8-12(16-18)15-13(20)14(4)9-17(11(3)19)6-7-21-14/h8H,5-7,9H2,1-4H3,(H,15,16,20)/t14-/m0/s1.
What are the key properties of (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide?
(2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-N-(1-ethyl-5-methylpyrazol-3-yl)-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124994949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).