2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone

C16H26N4O — CID 50960668

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C16H26N4O/c1-12-14(13(2)18-17-12)10-15(21)20-8-5-16(6-9-20)4-7-19(3)11-16/h4-11H2,1-3H3,(H,17,18)
InChIKeyMGNIQBAXNXZPGT-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.51
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 50960668) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID50960668
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCc1n[nH]c(C)c1CC(=O)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C16H26N4O/c1-12-14(13(2)18-17-12)10-15(21)20-8-5-16(6-9-20)4-7-19(3)11-16/h4-11H2,1-3H3,(H,17,18)
InChIKeyMGNIQBAXNXZPGT-UHFFFAOYSA-N
XLogP1.51
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 50960668) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone is Cc1n[nH]c(C)c1CC(=O)N1CCC2(CCN(C)C2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is MGNIQBAXNXZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-14(13(2)18-17-12)10-15(21)20-8-5-16(6-9-20)4-7-19(3)11-16/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 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-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 50960668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).