3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H20N4O2 — CID 72847360

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1c(CN2CC3(CCNCC3)OC2=O)cnn1C
InChIInChI=1S/C13H20N4O2/c1-10-11(7-15-16(10)2)8-17-9-13(19-12(17)18)3-5-14-6-4-13/h7,14H,3-6,8-9H2,1-2H3
InChIKeyDTCJSUUPJUNIGL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.80
Rot. Bonds2

About 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72847360) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72847360
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1c(CN2CC3(CCNCC3)OC2=O)cnn1C
InChIInChI=1S/C13H20N4O2/c1-10-11(7-15-16(10)2)8-17-9-13(19-12(17)18)3-5-14-6-4-13/h7,14H,3-6,8-9H2,1-2H3
InChIKeyDTCJSUUPJUNIGL-UHFFFAOYSA-N
XLogP0.80
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

tert-butyl 3-(aminomethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 71305923
tert-butyl 1-(piperidin-4-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 121552363
tert-butyl 3-((methylamino)methyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 132398472
8-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70752779
8-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70787666
3-[(1-ethyl-1H-pyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72903727
8-[3-(3-methylpyrazol-1-yl)propanoyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96398353
8-[2-(5-methylpyrazol-1-yl)acetyl]-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96401940
tert-butyl (3R)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-methylpyrrolidine-1-carboxylate
CID 99792041
tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate
CID 164630510
[(2R)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]methyl N-propylcarbamate
CID 164639601
tert-butyl N-[3-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl-methylamino]propyl]carbamate
CID 86796783

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72847360) is 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1c(CN2CC3(CCNCC3)OC2=O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DTCJSUUPJUNIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-11(7-15-16(10)2)8-17-9-13(19-12(17)18)3-5-14-6-4-13/h7,14H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72847360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).