9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H28N4O3 — CID 72933965

IUPAC9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1nccc1C(=O)N1CCC2(CCC(=O)N(CCOC)C2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-22-15(5-9-19-22)17(24)20-10-7-18(8-11-20)6-4-16(23)21(14-18)12-13-25-2/h5,9H,3-4,6-8,10-14H2,1-2H3
InChIKeyZQAPZKHLTYDZCZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.39
Rot. Bonds5

About 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72933965) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72933965
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1nccc1C(=O)N1CCC2(CCC(=O)N(CCOC)C2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-22-15(5-9-19-22)17(24)20-10-7-18(8-11-20)6-4-16(23)21(14-18)12-13-25-2/h5,9H,3-4,6-8,10-14H2,1-2H3
InChIKeyZQAPZKHLTYDZCZ-UHFFFAOYSA-N
XLogP1.39
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72933965) is 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCn1nccc1C(=O)N1CCC2(CCC(=O)N(CCOC)C2)CC1.
What is the InChIKey of 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZQAPZKHLTYDZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-22-15(5-9-19-22)17(24)20-10-7-18(8-11-20)6-4-16(23)21(14-18)12-13-25-2/h5,9H,3-4,6-8,10-14H2,1-2H3.
What are the key properties of 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.45 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylpyrazole-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72933965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).