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

C17H21N3O3 — CID 45216072

IUPAC[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1cccc(CC2CN(C(=O)c3ccnn3C)CCO2)c1
InChIInChI=1S/C17H21N3O3/c1-19-16(6-7-18-19)17(21)20-8-9-23-15(12-20)11-13-4-3-5-14(10-13)22-2/h3-7,10,15H,8-9,11-12H2,1-2H3
InChIKeyMSXMSOFIWNHIPA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.51
Rot. Bonds4

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

[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 45216072) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID45216072
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1cccc(CC2CN(C(=O)c3ccnn3C)CCO2)c1
InChIInChI=1S/C17H21N3O3/c1-19-16(6-7-18-19)17(21)20-8-9-23-15(12-20)11-13-4-3-5-14(10-13)22-2/h3-7,10,15H,8-9,11-12H2,1-2H3
InChIKeyMSXMSOFIWNHIPA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (CID 45216072) is [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is COc1cccc(CC2CN(C(=O)c3ccnn3C)CCO2)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is MSXMSOFIWNHIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-16(6-7-18-19)17(21)20-8-9-23-15(12-20)11-13-4-3-5-14(10-13)22-2/h3-7,10,15H,8-9,11-12H2,1-2H3.
What are the key properties of [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
[2-[(3-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 [2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 45216072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).