[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

C17H21N3O3 — CID 124977955

IUPAC[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccnn3C)CCO2)cc1
InChIInChI=1S/C17H21N3O3/c1-19-16(7-8-18-19)17(21)20-9-10-23-15(12-20)11-13-3-5-14(22-2)6-4-13/h3-8,15H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyLQIRGFUOXUAVHV-HNNXBMFYSA-N
MW315.37 g/mol
LogP1.51
Rot. Bonds4

About [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 124977955) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID124977955
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3ccnn3C)CCO2)cc1
InChIInChI=1S/C17H21N3O3/c1-19-16(7-8-18-19)17(21)20-9-10-23-15(12-20)11-13-3-5-14(22-2)6-4-13/h3-8,15H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyLQIRGFUOXUAVHV-HNNXBMFYSA-N
XLogP1.51
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 124994504
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42382131
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 25374189
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 26334183
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[1-[2-[(4-fluorophenyl)methyl]morpholine-4-carbonyl]-5-methoxy-2-methylindol-3-yl]-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 71733114

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (CID 124977955) is [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is COc1ccc(C[C@H]2CN(C(=O)c3ccnn3C)CCO2)cc1.
What is the InChIKey of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is LQIRGFUOXUAVHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-16(7-8-18-19)17(21)20-9-10-23-15(12-20)11-13-3-5-14(22-2)6-4-13/h3-8,15H,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 124977955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).