2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone

C16H19N3O3 — CID 91027875

IUPAC2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCn1cc(-c2cccc(OCC(=O)N3CCOCC3)c2)cn1
InChIInChI=1S/C16H19N3O3/c1-18-11-14(10-17-18)13-3-2-4-15(9-13)22-12-16(20)19-5-7-21-8-6-19/h2-4,9-11H,5-8,12H2,1H3
InChIKeyXWYGZSQUIWGNTQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone

2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 91027875) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID91027875
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCn1cc(-c2cccc(OCC(=O)N3CCOCC3)c2)cn1
InChIInChI=1S/C16H19N3O3/c1-18-11-14(10-17-18)13-3-2-4-15(9-13)22-12-16(20)19-5-7-21-8-6-19/h2-4,9-11H,5-8,12H2,1H3
InChIKeyXWYGZSQUIWGNTQ-UHFFFAOYSA-N
XLogP1.32
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032454
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
CID 72929033
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-(3-fluoropyrrolidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 173044783
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-1,2-oxazole-5-carboxamide
CID 91386336
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone (CID 91027875) is 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone is Cn1cc(-c2cccc(OCC(=O)N3CCOCC3)c2)cn1.
What is the InChIKey of 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is XWYGZSQUIWGNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-11-14(10-17-18)13-3-2-4-15(9-13)22-12-16(20)19-5-7-21-8-6-19/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 301.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 91027875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).