ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one

C18H30N2O2 — CID 142375304

IUPACethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one
SMILESCC.CC1CCC(=O)CCCn2nc(CC3CCOC3)cc21
InChIInChI=1S/C16H24N2O2.C2H6/c1-12-4-5-15(19)3-2-7-18-16(12)10-14(17-18)9-13-6-8-20-11-13;1-2/h10,12-13H,2-9,11H2,1H3;1-2H3
InChIKeyXMRHCAJQUHDIDZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.73
Rot. Bonds2

About ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one

ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one (PubChem CID 142375304) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one.

Molecular Properties

Compound Nameethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one
PubChem CID142375304
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nameethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one
SMILESCC.CC1CCC(=O)CCCn2nc(CC3CCOC3)cc21
InChIInChI=1S/C16H24N2O2.C2H6/c1-12-4-5-15(19)3-2-7-18-16(12)10-14(17-18)9-13-6-8-20-11-13;1-2/h10,12-13H,2-9,11H2,1H3;1-2H3
InChIKeyXMRHCAJQUHDIDZ-UHFFFAOYSA-N
XLogP3.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one with MolForge

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Related Compounds

3-[3-Ethyl-5-(oxolan-3-yl)pyrazol-1-yl]cyclobutan-1-one
CID 123200227
3-Amino-1-[5-methyl-3-(oxolan-3-ylmethyl)pyrazol-1-yl]heptan-4-one
CID 135136122
3-Methyl-1-[5-methyl-3-(oxolan-3-ylmethyl)pyrazol-1-yl]heptan-4-one
CID 135136204
1-[5-Methyl-3-(oxolan-3-ylmethyl)pyrazol-1-yl]heptan-4-one
CID 135136214
4,8-Dimethyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one;ethane
CID 142375325
3-Amino-1-[5-methyl-3-(oxolan-3-ylmethyl)pyrazol-1-yl]heptan-4-one;ethane
CID 142375371
1-(1-Methyl-3-propylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 149131791
5-[2-[5-[2-(3,4-dihydro-2H-pyran-6-yl)propyl]-1-methylpyrazol-3-yl]propyl]-2-propan-2-ylcyclopent-2-en-1-one
CID 155242886
1-(3-Butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 158752187
1-(1-Methyl-3-pentylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 162205786
5-(2-Ethyl-5-methylpyrazol-3-yl)-4-methylpentan-2-one
CID 65864941
5-(1,3-Diethylpyrazol-5-yl)-4-methylpentan-2-one
CID 65864942

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one?
The IUPAC name of ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one (CID 142375304) is ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one.
What is the SMILES notation for ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one?
The canonical SMILES for ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one is CC.CC1CCC(=O)CCCn2nc(CC3CCOC3)cc21.
What is the InChIKey of ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one?
The InChIKey is XMRHCAJQUHDIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H6/c1-12-4-5-15(19)3-2-7-18-16(12)10-14(17-18)9-13-6-8-20-11-13;1-2/h10,12-13H,2-9,11H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one?
ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one has a molecular weight of 306.45 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(oxolan-3-ylmethyl)-4,5,6,8,9,10-hexahydropyrazolo[1,5-a]azonin-7-one is sourced from PubChem (CID 142375304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).