1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C16H24N4O3 — CID 110155722

IUPAC1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3ccn[nH]3)CC2)CC1(C)CO
InChIInChI=1S/C16H24N4O3/c1-12(22)20-10-16(9-15(20,2)11-21)4-7-19(8-5-16)14(23)13-3-6-17-18-13/h3,6,21H,4-5,7-11H2,1-2H3,(H,17,18)
InChIKeyPEXAINLWDYESMB-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.64
Rot. Bonds2

About 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 110155722) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID110155722
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)c3ccn[nH]3)CC2)CC1(C)CO
InChIInChI=1S/C16H24N4O3/c1-12(22)20-10-16(9-15(20,2)11-21)4-7-19(8-5-16)14(23)13-3-6-17-18-13/h3,6,21H,4-5,7-11H2,1-2H3,(H,17,18)
InChIKeyPEXAINLWDYESMB-UHFFFAOYSA-N
XLogP0.64
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124964311
1-[(3S)-3-(hydroxymethyl)-3-methyl-8-(1-methylpyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124971076
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
1-[8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110156228
1-[(3R)-8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124981846
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495690
1-[3-(hydroxymethyl)-3-methyl-8-[(2-methylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155945
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-[(3S)-3-(hydroxymethyl)-3-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 125014766
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 110155722) is 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC2(CCN(C(=O)c3ccn[nH]3)CC2)CC1(C)CO.
What is the InChIKey of 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is PEXAINLWDYESMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12(22)20-10-16(9-15(20,2)11-21)4-7-19(8-5-16)14(23)13-3-6-17-18-13/h3,6,21H,4-5,7-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 110155722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).