[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C14H23N3O3 — CID 97329931

IUPAC[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)n(C)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)12-5-13(16(4)15-12)14(19)17-6-11(7-18)20-8-10(17)3/h5,9-11,18H,6-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyNCMOVPLKFKNRCF-MNOVXSKESA-N
MW281.36 g/mol
LogP0.77
Rot. Bonds3

About [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 97329931) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID97329931
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)n(C)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)12-5-13(16(4)15-12)14(19)17-6-11(7-18)20-8-10(17)3/h5,9-11,18H,6-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyNCMOVPLKFKNRCF-MNOVXSKESA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219803
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700
(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(3-bromo-5-methylphenyl)-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 99606476
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(5-bromo-2-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203507
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 139007099
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114609733
[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107499354

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 97329931) is [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is CC(C)c1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)n(C)n1.
What is the InChIKey of [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is NCMOVPLKFKNRCF-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)12-5-13(16(4)15-12)14(19)17-6-11(7-18)20-8-10(17)3/h5,9-11,18H,6-8H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 97329931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).