1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone

C16H25N3O3 — CID 129487190

IUPAC1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccnn1C
InChIInChI=1S/C16H25N3O3/c1-18-12(6-7-17-18)10-16(20)19-8-9-22-11-14(19)13-4-3-5-15(13)21-2/h6-7,13-15H,3-5,8-11H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeySTCMIGSXKWQNJA-RBSFLKMASA-N
MW307.39 g/mol
LogP1.01
Rot. Bonds4

About 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone

1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone (PubChem CID 129487190) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
PubChem CID129487190
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccnn1C
InChIInChI=1S/C16H25N3O3/c1-18-12(6-7-17-18)10-16(20)19-8-9-22-11-14(19)13-4-3-5-15(13)21-2/h6-7,13-15H,3-5,8-11H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeySTCMIGSXKWQNJA-RBSFLKMASA-N
XLogP1.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-cyclobutylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 164635152
1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351762
1-[3-(2-methoxycyclopentyl)morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 128987996
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351763
3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
CID 129351728
2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
CID 167905349
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487072
[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487071
2-(4-fluorophenyl)-1-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]ethanone
CID 129486921
(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine
CID 129491387

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone (CID 129487190) is 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone is CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccnn1C.
What is the InChIKey of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is STCMIGSXKWQNJA-RBSFLKMASA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-12(6-7-17-18)10-16(20)19-8-9-22-11-14(19)13-4-3-5-15(13)21-2/h6-7,13-15H,3-5,8-11H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone?
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 129487190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).