1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone

C19H23N3O3 — CID 155541892

IUPAC1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)OCC(c1cc(-c3ccccc3)nn1C)O2
InChIInChI=1S/C19H23N3O3/c1-14(23)22-10-8-19(9-11-22)24-13-18(25-19)17-12-16(20-21(17)2)15-6-4-3-5-7-15/h3-7,12,18H,8-11,13H2,1-2H3
InChIKeyXTSDFTLEQVMAPA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.51
Rot. Bonds2

About 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone

1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 155541892) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID155541892
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)OCC(c1cc(-c3ccccc3)nn1C)O2
InChIInChI=1S/C19H23N3O3/c1-14(23)22-10-8-19(9-11-22)24-13-18(25-19)17-12-16(20-21(17)2)15-6-4-3-5-7-15/h3-7,12,18H,8-11,13H2,1-2H3
InChIKeyXTSDFTLEQVMAPA-UHFFFAOYSA-N
XLogP2.51
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Fluorophenyl)-(2-methylpyrazol-3-yl)methoxy]-1-morpholin-4-ylethanone
CID 45488337
5-(1,4-Dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
CID 155510464
3-[5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]benzonitrile
CID 155514759
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-phenyl-1-propan-2-ylpyrazole
CID 155518972
4-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]-N,N-dimethylaniline
CID 155523066
3-[5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazol-1-yl]propanenitrile
CID 155528416
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1,3-diphenylpyrazole
CID 155532143
5-(1,4-Dioxaspiro[4.4]nonan-3-yl)-1-methyl-3-phenylpyrazole
CID 155532952
1-Cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
CID 155533286
1-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenylpyrazole
CID 155536213
3-(3-Chloro-5-fluorophenyl)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155547735
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
CID 155550795

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 155541892) is 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CC1)OCC(c1cc(-c3ccccc3)nn1C)O2.
What is the InChIKey of 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is XTSDFTLEQVMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(23)22-10-8-19(9-11-22)24-13-18(25-19)17-12-16(20-21(17)2)15-6-4-3-5-7-15/h3-7,12,18H,8-11,13H2,1-2H3.
What are the key properties of 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone?
1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 155541892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).