8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane

C17H30N4O — CID 97396875

IUPAC8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C17H30N4O/c1-15-13-16(19(2)18-15)14-20-9-6-17(7-10-20)5-4-8-21(17)11-12-22-3/h13H,4-12,14H2,1-3H3
InChIKeyYOAZVBGEOGKYJA-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.81
Rot. Bonds5

About 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane

8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 97396875) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
PubChem CID97396875
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cc(C)nn1C)CC2
InChIInChI=1S/C17H30N4O/c1-15-13-16(19(2)18-15)14-20-9-6-17(7-10-20)5-4-8-21(17)11-12-22-3/h13H,4-12,14H2,1-3H3
InChIKeyYOAZVBGEOGKYJA-UHFFFAOYSA-N
XLogP1.81
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane (CID 97396875) is 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane is COCCN1CCCC12CCN(Cc1cc(C)nn1C)CC2.
What is the InChIKey of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is YOAZVBGEOGKYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-15-13-16(19(2)18-15)14-20-9-6-17(7-10-20)5-4-8-21(17)11-12-22-3/h13H,4-12,14H2,1-3H3.
What are the key properties of 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane?
8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 306.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).