8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H30N4O3 — CID 70708580

IUPAC8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O
InChIInChI=1S/C19H30N4O3/c1-5-6-15(3)22-13-19(26-18(22)25)7-9-21(10-8-19)17(24)12-23-16(4)11-14(2)20-23/h11,15H,5-10,12-13H2,1-4H3
InChIKeyFIMTZWXWCDLXDE-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.50
Rot. Bonds5

About 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70708580) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70708580
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O
InChIInChI=1S/C19H30N4O3/c1-5-6-15(3)22-13-19(26-18(22)25)7-9-21(10-8-19)17(24)12-23-16(4)11-14(2)20-23/h11,15H,5-10,12-13H2,1-4H3
InChIKeyFIMTZWXWCDLXDE-UHFFFAOYSA-N
XLogP2.50
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10030012, Example 79
CID 78318386
N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555283
1-(4-Acetylpiperazin-1-yl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 53623706
2-(3,5-Dimethylpyrazol-1-YL)-1-(4-methoxypiperidin-1-YL)ethanone
CID 71943780
2-[Cyclopropyl(methyl)amino]-1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 72141917
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl)acetamide
CID 72891932
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl)acetamide
CID 72915432
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2,5,5-trimethylmorpholin-4-yl)ethan-1-one
CID 132284008
US10030012, Example 78
CID 78318385
1-[2-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 56724063
7-[(1-ethyl-5-methyl-1H-pyrazol-3-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56887213
2-(3,5-Dimethylpyrazol-1-yl)-1-[2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 124075236

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70708580) is 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O.
What is the InChIKey of 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FIMTZWXWCDLXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-5-6-15(3)22-13-19(26-18(22)25)7-9-21(10-8-19)17(24)12-23-16(4)11-14(2)20-23/h11,15H,5-10,12-13H2,1-4H3.
What are the key properties of 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70708580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).