2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C14H20N4O2 — CID 131688661

IUPAC2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)c2ccn[nH]2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-2-17-10-14(9-12(17)19)6-3-4-8-18(14)13(20)11-5-7-15-16-11/h5,7H,2-4,6,8-10H2,1H3,(H,15,16)
InChIKeyXTCYBPJWOXDDCU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.03
Rot. Bonds2

About 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 131688661) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID131688661
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)c2ccn[nH]2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-2-17-10-14(9-12(17)19)6-3-4-8-18(14)13(20)11-5-7-15-16-11/h5,7H,2-4,6,8-10H2,1H3,(H,15,16)
InChIKeyXTCYBPJWOXDDCU-UHFFFAOYSA-N
XLogP1.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 131643854
2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
CID 131688663
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495690
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131688792
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 97484451
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155722
2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 131688661) is 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is CCN1CC2(CCCCN2C(=O)c2ccn[nH]2)CC1=O.
What is the InChIKey of 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is XTCYBPJWOXDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-17-10-14(9-12(17)19)6-3-4-8-18(14)13(20)11-5-7-15-16-11/h5,7H,2-4,6,8-10H2,1H3,(H,15,16).
What are the key properties of 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).