3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole

C17H28N2O — CID 102901064

IUPAC3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
SMILESCCc1cc(CC)n(CC2CCC3(CCCCC3)O2)n1
InChIInChI=1S/C17H28N2O/c1-3-14-12-15(4-2)19(18-14)13-16-8-11-17(20-16)9-6-5-7-10-17/h12,16H,3-11,13H2,1-2H3
InChIKeyBOAZTSGPYOVFJH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.89
Rot. Bonds4

About 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole

3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole (PubChem CID 102901064) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
PubChem CID102901064
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
SMILESCCc1cc(CC)n(CC2CCC3(CCCCC3)O2)n1
InChIInChI=1S/C17H28N2O/c1-3-14-12-15(4-2)19(18-14)13-16-8-11-17(20-16)9-6-5-7-10-17/h12,16H,3-11,13H2,1-2H3
InChIKeyBOAZTSGPYOVFJH-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole?
The IUPAC name of 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole (CID 102901064) is 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole.
What is the SMILES notation for 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole?
The canonical SMILES for 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole is CCc1cc(CC)n(CC2CCC3(CCCCC3)O2)n1.
What is the InChIKey of 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole?
The InChIKey is BOAZTSGPYOVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-14-12-15(4-2)19(18-14)13-16-8-11-17(20-16)9-6-5-7-10-17/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole?
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole has a molecular weight of 276.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole is sourced from PubChem (CID 102901064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).