2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C18H32N4O — CID 45206449

IUPAC2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCCn1ncc(CN2CCC3(CCCN(CCOC)C3)C2)c1C
InChIInChI=1S/C18H32N4O/c1-4-22-16(2)17(12-19-22)13-21-9-7-18(15-21)6-5-8-20(14-18)10-11-23-3/h12H,4-11,13-15H2,1-3H3
InChIKeyDLFIEGNESQSWOE-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.15
Rot. Bonds6

About 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45206449) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45206449
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCCn1ncc(CN2CCC3(CCCN(CCOC)C3)C2)c1C
InChIInChI=1S/C18H32N4O/c1-4-22-16(2)17(12-19-22)13-21-9-7-18(15-21)6-5-8-20(14-18)10-11-23-3/h12H,4-11,13-15H2,1-3H3
InChIKeyDLFIEGNESQSWOE-UHFFFAOYSA-N
XLogP2.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 45206449) is 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is CCn1ncc(CN2CCC3(CCCN(CCOC)C3)C2)c1C.
What is the InChIKey of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is DLFIEGNESQSWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-4-22-16(2)17(12-19-22)13-21-9-7-18(15-21)6-5-8-20(14-18)10-11-23-3/h12H,4-11,13-15H2,1-3H3.
What are the key properties of 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 320.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45206449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).