1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C20H27N3O3 — CID 132765108

IUPAC1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccccc1CC1(CO)CN(C(=O)CCn2nccc2C)CCO1
InChIInChI=1S/C20H27N3O3/c1-16-5-3-4-6-18(16)13-20(15-24)14-22(11-12-26-20)19(25)8-10-23-17(2)7-9-21-23/h3-7,9,24H,8,10-15H2,1-2H3
InChIKeyMJSGTONJDGWNGI-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 132765108) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID132765108
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccccc1CC1(CO)CN(C(=O)CCn2nccc2C)CCO1
InChIInChI=1S/C20H27N3O3/c1-16-5-3-4-6-18(16)13-20(15-24)14-22(11-12-26-20)19(25)8-10-23-17(2)7-9-21-23/h3-7,9,24H,8,10-15H2,1-2H3
InChIKeyMJSGTONJDGWNGI-UHFFFAOYSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132764590
1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 132765075
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
CID 155992738
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231154
1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
2-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492257
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124996817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 132765108) is 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccccc1CC1(CO)CN(C(=O)CCn2nccc2C)CCO1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is MJSGTONJDGWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16-5-3-4-6-18(16)13-20(15-24)14-22(11-12-26-20)19(25)8-10-23-17(2)7-9-21-23/h3-7,9,24H,8,10-15H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 357.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 132765108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).