3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one

C20H27N3O2 — CID 26317752

IUPAC3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1
InChIInChI=1S/C20H27N3O2/c1-22-15-18(14-21-22)10-11-20(24)23-12-13-25-19(16-23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3/t19-/m1/s1
InChIKeyOFXUYSUPWIPWAT-LJQANCHMSA-N
MW341.45 g/mol
LogP2.60
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one

3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one (PubChem CID 26317752) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
PubChem CID26317752
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1
InChIInChI=1S/C20H27N3O2/c1-22-15-18(14-21-22)10-11-20(24)23-12-13-25-19(16-23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3/t19-/m1/s1
InChIKeyOFXUYSUPWIPWAT-LJQANCHMSA-N
XLogP2.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 56865446
3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45242730
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one (CID 26317752) is 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one is Cn1cc(CCC(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
The InChIKey is OFXUYSUPWIPWAT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-15-18(14-21-22)10-11-20(24)23-12-13-25-19(16-23)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3/t19-/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one?
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one has a molecular weight of 341.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 26317752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).