1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C17H26N4O3 — CID 91925032

IUPAC1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)c3cc(C)n(C)n3)CC2)C1
InChIInChI=1S/C17H26N4O3/c1-12-8-15(18-19(12)3)16(24)20-6-4-17(5-7-20)11-21(13(2)23)9-14(17)10-22/h8,14,22H,4-7,9-11H2,1-3H3
InChIKeyDEUGRNWVFJTPBA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.42
Rot. Bonds2

About 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91925032) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91925032
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)c3cc(C)n(C)n3)CC2)C1
InChIInChI=1S/C17H26N4O3/c1-12-8-15(18-19(12)3)16(24)20-6-4-17(5-7-20)11-21(13(2)23)9-14(17)10-22/h8,14,22H,4-7,9-11H2,1-3H3
InChIKeyDEUGRNWVFJTPBA-UHFFFAOYSA-N
XLogP0.42
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91925032) is 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC(CO)C2(CCN(C(=O)c3cc(C)n(C)n3)CC2)C1.
What is the InChIKey of 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is DEUGRNWVFJTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-8-15(18-19(12)3)16(24)20-6-4-17(5-7-20)11-21(13(2)23)9-14(17)10-22/h8,14,22H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1,5-dimethylpyrazole-3-carbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91925032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).