1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone

C14H19N3O — CID 126834435

IUPAC1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CC=CC23CCCCC3)n1
InChIInChI=1S/C14H19N3O/c1-16-11-6-12(15-16)13(18)17-10-5-9-14(17)7-3-2-4-8-14/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyBKFXWHYWEVAHIM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds1

About 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone

1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone (PubChem CID 126834435) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone
PubChem CID126834435
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CC=CC23CCCCC3)n1
InChIInChI=1S/C14H19N3O/c1-16-11-6-12(15-16)13(18)17-10-5-9-14(17)7-3-2-4-8-14/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyBKFXWHYWEVAHIM-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one
CID 110257085
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
CID 110257092
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597
N,N-dicyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 19617269
1-(1-Methyl-1H-pyrazole-5-carbonyl)-2-[2-(pyrrolidin-1-YL)ethyl]piperidine
CID 53193393
1-(1-Ethyl-1H-pyrazole-5-carbonyl)-2-[2-(pyrrolidin-1-YL)ethyl]piperidine
CID 53193395
[3-(1-isopentyl-4-piperidyl)-1-pyrrolidinyl](1-methyl-1H-pyrazol-5-yl)methanone
CID 91906280

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone (CID 126834435) is 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CC=CC23CCCCC3)n1.
What is the InChIKey of 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone?
The InChIKey is BKFXWHYWEVAHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-11-6-12(15-16)13(18)17-10-5-9-14(17)7-3-2-4-8-14/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone?
1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[4.5]dec-3-en-1-yl-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 126834435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).