2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O3 — CID 72912648

IUPAC2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1[nH]nc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)c1C
InChIInChI=1S/C18H28N4O3/c1-4-14-13(2)15(20-19-14)16(23)22-9-7-18(12-22)6-5-8-21(17(18)24)10-11-25-3/h4-12H2,1-3H3,(H,19,20)
InChIKeyIUBSWIPYIXRUBI-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.38
Rot. Bonds5

About 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72912648) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72912648
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1[nH]nc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)c1C
InChIInChI=1S/C18H28N4O3/c1-4-14-13(2)15(20-19-14)16(23)22-9-7-18(12-22)6-5-8-21(17(18)24)10-11-25-3/h4-12H2,1-3H3,(H,19,20)
InChIKeyIUBSWIPYIXRUBI-UHFFFAOYSA-N
XLogP1.38
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72912648) is 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1[nH]nc(C(=O)N2CCC3(CCCN(CCOC)C3=O)C2)c1C.
What is the InChIKey of 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IUBSWIPYIXRUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-14-13(2)15(20-19-14)16(23)22-9-7-18(12-22)6-5-8-21(17(18)24)10-11-25-3/h4-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.45 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72912648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).