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

C19H32N4O2 — CID 70787666

IUPAC8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(Cc3cnn(C)c3C)CC2)OC1=O
InChIInChI=1S/C19H32N4O2/c1-5-16(6-2)12-23-14-19(25-18(23)24)7-9-22(10-8-19)13-17-11-20-21(4)15(17)3/h11,16H,5-10,12-14H2,1-4H3
InChIKeyTVYPMVHUHHHTGY-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.95
Rot. Bonds6

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

8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70787666) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70787666
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(Cc3cnn(C)c3C)CC2)OC1=O
InChIInChI=1S/C19H32N4O2/c1-5-16(6-2)12-23-14-19(25-18(23)24)7-9-22(10-8-19)13-17-11-20-21(4)15(17)3/h11,16H,5-10,12-14H2,1-4H3
InChIKeyTVYPMVHUHHHTGY-UHFFFAOYSA-N
XLogP2.95
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylbutyl)-8-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704915
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
3-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72847360
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
8-(3-methyl-1-propylpyrazole-4-carbonyl)-3-[(2S)-pentan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96409399
tert-butyl (2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 99606833
tert-butyl (3R)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-methylpyrrolidine-1-carboxylate
CID 99792041
2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 45206449
isobutyl 4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 56751961
8-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56895614

Frequently Asked Questions

What is the IUPAC name of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70787666) is 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CC2(CCN(Cc3cnn(C)c3C)CC2)OC1=O.
What is the InChIKey of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TVYPMVHUHHHTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-16(6-2)12-23-14-19(25-18(23)24)7-9-22(10-8-19)13-17-11-20-21(4)15(17)3/h11,16H,5-10,12-14H2,1-4H3.
What are the key properties of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70787666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).