2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane

C19H26N4 — CID 56756882

IUPAC2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
SMILESc1ccc(Cn2cccn2)c(CN2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C19H26N4/c1-2-6-18(14-23-11-4-10-21-23)17(5-1)13-22-12-8-19(16-22)7-3-9-20-15-19/h1-2,4-6,10-11,20H,3,7-9,12-16H2
InChIKeyZJILIBONAJUJJG-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.51
Rot. Bonds4

About 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane

2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 56756882) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
PubChem CID56756882
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane
SMILESc1ccc(Cn2cccn2)c(CN2CCC3(CCCNC3)C2)c1
InChIInChI=1S/C19H26N4/c1-2-6-18(14-23-11-4-10-21-23)17(5-1)13-22-12-8-19(16-22)7-3-9-20-15-19/h1-2,4-6,10-11,20H,3,7-9,12-16H2
InChIKeyZJILIBONAJUJJG-UHFFFAOYSA-N
XLogP2.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane (CID 56756882) is 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane is c1ccc(Cn2cccn2)c(CN2CCC3(CCCNC3)C2)c1.
What is the InChIKey of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is ZJILIBONAJUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-6-18(14-23-11-4-10-21-23)17(5-1)13-22-12-8-19(16-22)7-3-9-20-15-19/h1-2,4-6,10-11,20H,3,7-9,12-16H2.
What are the key properties of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane?
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 310.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56756882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).