1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone

C10H15N3O2 — CID 94171767

IUPAC1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone
SMILESC[C@H]1CN(C(=O)Cn2cccn2)CCO1
InChIInChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1
InChIKeyYJMLTHJLDUBVIC-VIFPVBQESA-N
MW209.25 g/mol
LogP0.13
Rot. Bonds2

About 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone

1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone (PubChem CID 94171767) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone
PubChem CID94171767
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone
SMILESC[C@H]1CN(C(=O)Cn2cccn2)CCO1
InChIInChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1
InChIKeyYJMLTHJLDUBVIC-VIFPVBQESA-N
XLogP0.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-2-(1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 45238412
1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
4-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53558691
2-(Pyrazol-1-ylmethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 53560109
4-(3-Methylbut-2-enyl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53563079
4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53564503
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53564741
N-(2-acetamidoethyl)-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53582922
N-(2-acetamidoethyl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53599673
2-(4-Bromo-1H-pyrazol-1-yl)-1-morpholinopropan-1-one
CID 56828824
2-(4-Iodopyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 64430790
1-(4-Propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone (CID 94171767) is 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone is C[C@H]1CN(C(=O)Cn2cccn2)CCO1.
What is the InChIKey of 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
The InChIKey is YJMLTHJLDUBVIC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone has a molecular weight of 209.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylmorpholin-4-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 94171767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).