1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol

C14H22N2O3 — CID 79920064

IUPAC1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C14H22N2O3/c1-11(17)12-9-15-16(10-12)13-2-5-19-14(8-13)3-6-18-7-4-14/h9-11,13,17H,2-8H2,1H3
InChIKeyRIUFXFPYOLBGCM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.84
Rot. Bonds2

About 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol

1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol (PubChem CID 79920064) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
PubChem CID79920064
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C14H22N2O3/c1-11(17)12-9-15-16(10-12)13-2-5-19-14(8-13)3-6-18-7-4-14/h9-11,13,17H,2-8H2,1H3
InChIKeyRIUFXFPYOLBGCM-UHFFFAOYSA-N
XLogP1.84
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-chloroethyl)-1-(5-oxaspiro[3.5]nonan-8-yl)pyrazole
CID 79919589
4-(1-chloroethyl)-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919826
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-4-carboxylic acid
CID 79893701
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
N-[1-[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]ethyl]propan-1-amine
CID 79919225
N-ethyl-1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanamine
CID 79910321
N-[[1-(5-oxaspiro[3.5]nonan-8-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79920806
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]butan-2-amine
CID 79920296
N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 79910560
N-[[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79910305
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
CID 79903246
N-[[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79910310

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol (CID 79920064) is 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol is CC(O)c1cnn(C2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol?
The InChIKey is RIUFXFPYOLBGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)12-9-15-16(10-12)13-2-5-19-14(8-13)3-6-18-7-4-14/h9-11,13,17H,2-8H2,1H3.
What are the key properties of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol?
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 79920064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).