3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one

C19H25N3O2 — CID 45239749

IUPAC3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-16-9-11-20-22(16)12-10-19(23)21-13-14-24-18(15-21)8-7-17-5-3-2-4-6-17/h2-6,9,11,18H,7-8,10,12-15H2,1H3
InChIKeyBBZZYLHEJPXTNE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.44
Rot. Bonds6

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

3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one (PubChem CID 45239749) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
PubChem CID45239749
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-16-9-11-20-22(16)12-10-19(23)21-13-14-24-18(15-21)8-7-17-5-3-2-4-6-17/h2-6,9,11,18H,7-8,10,12-15H2,1H3
InChIKeyBBZZYLHEJPXTNE-UHFFFAOYSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 25382249
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 25395374

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one (CID 45239749) is 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one is Cc1ccnn1CCC(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is BBZZYLHEJPXTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-16-9-11-20-22(16)12-10-19(23)21-13-14-24-18(15-21)8-7-17-5-3-2-4-6-17/h2-6,9,11,18H,7-8,10,12-15H2,1H3.
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45239749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).