[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C15H23N3O3 — CID 129487072

IUPAC[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cn[nH]c1C
InChIInChI=1S/C15H23N3O3/c1-10-12(8-16-17-10)15(19)18-6-7-21-9-13(18)11-4-3-5-14(11)20-2/h8,11,13-14H,3-7,9H2,1-2H3,(H,16,17)/t11-,13-,14-/m1/s1
InChIKeyFVGCRUQOBRRRPV-MRVWCRGKSA-N
MW293.37 g/mol
LogP1.37
Rot. Bonds3

About [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 129487072) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID129487072
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cn[nH]c1C
InChIInChI=1S/C15H23N3O3/c1-10-12(8-16-17-10)15(19)18-6-7-21-9-13(18)11-4-3-5-14(11)20-2/h8,11,13-14H,3-7,9H2,1-2H3,(H,16,17)/t11-,13-,14-/m1/s1
InChIKeyFVGCRUQOBRRRPV-MRVWCRGKSA-N
XLogP1.37
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487071
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 62922896
4-(5-methyl-1H-pyrazole-4-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103633
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129486414
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 129487190
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
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351763
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
(2-chloro-4,5-dimethylphenyl)-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486930
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 129487072) is [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cn[nH]c1C.
What is the InChIKey of [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is FVGCRUQOBRRRPV-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(8-16-17-10)15(19)18-6-7-21-9-13(18)11-4-3-5-14(11)20-2/h8,11,13-14H,3-7,9H2,1-2H3,(H,16,17)/t11-,13-,14-/m1/s1.
What are the key properties of [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 129487072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).