2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone

C14H21N3O — CID 71873410

IUPAC2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C14H21N3O/c1-16-12(5-9-15-16)13(18)17-10-8-14(11-17)6-3-2-4-7-14/h5,9H,2-4,6-8,10-11H2,1H3
InChIKeyYXWMJZZHRXHWED-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds1

About 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone

2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone (PubChem CID 71873410) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
PubChem CID71873410
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C14H21N3O/c1-16-12(5-9-15-16)13(18)17-10-8-14(11-17)6-3-2-4-7-14/h5,9H,2-4,6-8,10-11H2,1H3
InChIKeyYXWMJZZHRXHWED-UHFFFAOYSA-N
XLogP2.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 63134182
[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45205230
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone
CID 138035518
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 81098298
[3-(4-fluorophenyl)spiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,3'-pyrrolidine]-1'-yl]-(2-methylpyrazol-3-yl)methanone
CID 131669620
2-azaspiro[4.5]decan-2-yl-(6-methoxypyridazin-3-yl)methanone
CID 71873411
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.5]decane-2-carboxamide
CID 124726994
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
(1-hydroxycyclopentyl)-(2-methylpyrazol-3-yl)methanone
CID 103447816

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone (CID 71873410) is 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone?
The InChIKey is YXWMJZZHRXHWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-12(5-9-15-16)13(18)17-10-8-14(11-17)6-3-2-4-7-14/h5,9H,2-4,6-8,10-11H2,1H3.
What are the key properties of 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone?
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 71873410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).