2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol

C15H26N4O — CID 102849304

IUPAC2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(CN2CCCC3(CCCNC3)C2)cn1
InChIInChI=1S/C15H26N4O/c20-8-7-19-11-14(9-17-19)10-18-6-2-4-15(13-18)3-1-5-16-12-15/h9,11,16,20H,1-8,10,12-13H2
InChIKeyPPSHFXZEWVXTMG-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol

2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol (PubChem CID 102849304) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
PubChem CID102849304
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(CN2CCCC3(CCCNC3)C2)cn1
InChIInChI=1S/C15H26N4O/c20-8-7-19-11-14(9-17-19)10-18-6-2-4-15(13-18)3-1-5-16-12-15/h9,11,16,20H,1-8,10,12-13H2
InChIKeyPPSHFXZEWVXTMG-UHFFFAOYSA-N
XLogP0.84
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol (CID 102849304) is 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol is OCCn1cc(CN2CCCC3(CCCNC3)C2)cn1.
What is the InChIKey of 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol?
The InChIKey is PPSHFXZEWVXTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-8-7-19-11-14(9-17-19)10-18-6-2-4-15(13-18)3-1-5-16-12-15/h9,11,16,20H,1-8,10,12-13H2.
What are the key properties of 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol?
2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 102849304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).