2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone

C16H25N3O2 — CID 126824987

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC(O)C12CCCCC2
InChIInChI=1S/C16H25N3O2/c1-11-13(12(2)18-17-11)10-15(21)19-9-6-14(20)16(19)7-4-3-5-8-16/h14,20H,3-10H2,1-2H3,(H,17,18)
InChIKeyTVIFXOOBCXYAPM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.87
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone (PubChem CID 126824987) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone
PubChem CID126824987
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC(O)C12CCCCC2
InChIInChI=1S/C16H25N3O2/c1-11-13(12(2)18-17-11)10-15(21)19-9-6-14(20)16(19)7-4-3-5-8-16/h14,20H,3-10H2,1-2H3,(H,17,18)
InChIKeyTVIFXOOBCXYAPM-UHFFFAOYSA-N
XLogP1.87
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyazepan-1-yl)ethanone
CID 131889726
1-(4-cyclohexylpiperazin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 74238007
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
1-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110126473
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]ethanone
CID 110126793
[(3S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125161180
(3S,4R)-9-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160658
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 131895050
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 124619104
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
CID 119044630
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064029
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414647

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone (CID 126824987) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCC(O)C12CCCCC2.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone?
The InChIKey is TVIFXOOBCXYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-13(12(2)18-17-11)10-15(21)19-9-6-14(20)16(19)7-4-3-5-8-16/h14,20H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxy-1-azaspiro[4.5]decan-1-yl)ethanone is sourced from PubChem (CID 126824987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).