1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

C13H22N4 — CID 118739025

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCNCC3)n1
InChIInChI=1S/C13H22N4/c1-16-10-3-12(15-16)11-17-9-2-4-13(17)5-7-14-8-6-13/h3,10,14H,2,4-9,11H2,1H3
InChIKeyMDVOVLVGQZCWCT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.14
Rot. Bonds2

About 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 118739025) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID118739025
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCNCC3)n1
InChIInChI=1S/C13H22N4/c1-16-10-3-12(15-16)11-17-9-2-4-13(17)5-7-14-8-6-13/h3,10,14H,2,4-9,11H2,1H3
InChIKeyMDVOVLVGQZCWCT-UHFFFAOYSA-N
XLogP1.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 118739025) is 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1ccc(CN2CCCC23CCNCC3)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is MDVOVLVGQZCWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-10-3-12(15-16)11-17-9-2-4-13(17)5-7-14-8-6-13/h3,10,14H,2,4-9,11H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 234.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118739025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).