2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone

C15H23N3O — CID 122136314

IUPAC2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CC3(CCCCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12(2)18-9-6-13(16-18)14(19)17-10-15(11-17)7-4-3-5-8-15/h6,9,12H,3-5,7-8,10-11H2,1-2H3
InChIKeyNDYVLSGNLYZWGH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds2

About 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone

2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 122136314) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID122136314
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1ccc(C(=O)N2CC3(CCCCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12(2)18-9-6-13(16-18)14(19)17-10-15(11-17)7-4-3-5-8-15/h6,9,12H,3-5,7-8,10-11H2,1-2H3
InChIKeyNDYVLSGNLYZWGH-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
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
(1-ethyl-1H-pyrazol-3-yl){4-[(4-methylpiperidino)methyl]-1-azepanyl}methanone
CID 91919817
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpyrazol-3-yl)methanone
CID 110197962

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone (CID 122136314) is 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1ccc(C(=O)N2CC3(CCCCC3)C2)n1.
What is the InChIKey of 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is NDYVLSGNLYZWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)18-9-6-13(16-18)14(19)17-10-15(11-17)7-4-3-5-8-15/h6,9,12H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone?
2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.5]nonan-2-yl-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 122136314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).