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

C13H20N4O2 — CID 72903727

IUPAC3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCn1ccc(CN2CC3(CCNCC3)OC2=O)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-8-3-11(15-17)9-16-10-13(19-12(16)18)4-6-14-7-5-13/h3,8,14H,2,4-7,9-10H2,1H3
InChIKeySRDGOPMBBVZDTM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.98
Rot. Bonds3

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

3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72903727) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72903727
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCn1ccc(CN2CC3(CCNCC3)OC2=O)n1
InChIInChI=1S/C13H20N4O2/c1-2-17-8-3-11(15-17)9-16-10-13(19-12(16)18)4-6-14-7-5-13/h3,8,14H,2,4-7,9-10H2,1H3
InChIKeySRDGOPMBBVZDTM-UHFFFAOYSA-N
XLogP0.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
tert-butyl 1-(piperidin-4-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 121552363
rac-tert-butyl N-((3R,4S)-4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-3-yl)carbamate
CID 137964589
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-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72847360
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 (3S)-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}piperazine-1-carboxylate
CID 57744184
Tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 135025372
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-4,4-dimethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154855025

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72903727) is 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCn1ccc(CN2CC3(CCNCC3)OC2=O)n1.
What is the InChIKey of 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SRDGOPMBBVZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-17-8-3-11(15-17)9-16-10-13(19-12(16)18)4-6-14-7-5-13/h3,8,14H,2,4-7,9-10H2,1H3.
What are the key properties of 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72903727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).