[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

C17H21N3O3 — CID 124994504

IUPAC[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)cc1
InChIInChI=1S/C17H21N3O3/c1-19-11-14(10-18-19)17(21)20-7-8-23-16(12-20)9-13-3-5-15(22-2)6-4-13/h3-6,10-11,16H,7-9,12H2,1-2H3/t16-/m0/s1
InChIKeyQFDHCRMBONWLDC-INIZCTEOSA-N
MW315.37 g/mol
LogP1.51
Rot. Bonds4

About [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 124994504) 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]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID124994504
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)cc1
InChIInChI=1S/C17H21N3O3/c1-19-11-14(10-18-19)17(21)20-7-8-23-16(12-20)9-13-3-5-15(22-2)6-4-13/h3-6,10-11,16H,7-9,12H2,1-2H3/t16-/m0/s1
InChIKeyQFDHCRMBONWLDC-INIZCTEOSA-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-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124977955
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124944341
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 25457567
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42382131
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
[6-[(4-fluorophenyl)methyl]-1,4-oxazepan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102604337
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone (CID 124994504) is [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone is COc1ccc(C[C@H]2CN(C(=O)c3cnn(C)c3)CCO2)cc1.
What is the InChIKey of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is QFDHCRMBONWLDC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-11-14(10-18-19)17(21)20-7-8-23-16(12-20)9-13-3-5-15(22-2)6-4-13/h3-6,10-11,16H,7-9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-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]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 124994504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).