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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Related Compounds

3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
2-[1-[1-(4-Pyrazol-1-ylbutan-2-yl)piperidin-4-yl]triazol-4-yl]propan-2-amine
CID 46985562
N-methyl-3-(1-methylpyrazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine
CID 56908442
1-(Cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396886
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
1-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 134790097
4-Methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 75506909
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
CID 97244177
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933

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).