1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone

C14H16N4O2 — CID 124991678

IUPAC1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCOC[C@H]1c1ccn[nH]1
InChIInChI=1S/C14H16N4O2/c19-14(8-11-2-1-4-15-9-11)18-6-7-20-10-13(18)12-3-5-16-17-12/h1-5,9,13H,6-8,10H2,(H,16,17)/t13-/m0/s1
InChIKeyPLCBEJDSBGTOAI-ZDUSSCGKSA-N
MW272.31 g/mol
LogP0.95
Rot. Bonds3

About 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone

1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone (PubChem CID 124991678) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
PubChem CID124991678
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCOC[C@H]1c1ccn[nH]1
InChIInChI=1S/C14H16N4O2/c19-14(8-11-2-1-4-15-9-11)18-6-7-20-10-13(18)12-3-5-16-17-12/h1-5,9,13H,6-8,10H2,(H,16,17)/t13-/m0/s1
InChIKeyPLCBEJDSBGTOAI-ZDUSSCGKSA-N
XLogP0.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114673
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125001935
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 110114754
(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114756
1H-indazol-3-yl-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124997703
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124991742
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124966215

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone (CID 124991678) is 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCOC[C@H]1c1ccn[nH]1.
What is the InChIKey of 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone?
The InChIKey is PLCBEJDSBGTOAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(8-11-2-1-4-15-9-11)18-6-7-20-10-13(18)12-3-5-16-17-12/h1-5,9,13H,6-8,10H2,(H,16,17)/t13-/m0/s1.
What are the key properties of 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone?
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone has a molecular weight of 272.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 124991678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).