2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide

C18H29N3O2 — CID 164636859

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCCc1cc(CC(=O)NC[C@H]2CCC3(CCCCC3)O2)n(C)n1
InChIInChI=1S/C18H29N3O2/c1-3-14-11-15(21(2)20-14)12-17(22)19-13-16-7-10-18(23-16)8-5-4-6-9-18/h11,16H,3-10,12-13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyIIQNHSLQNHNBHR-MRXNPFEDSA-N
MW319.45 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide

2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 164636859) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID164636859
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCCc1cc(CC(=O)NC[C@H]2CCC3(CCCCC3)O2)n(C)n1
InChIInChI=1S/C18H29N3O2/c1-3-14-11-15(21(2)20-14)12-17(22)19-13-16-7-10-18(23-16)8-5-4-6-9-18/h11,16H,3-10,12-13H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyIIQNHSLQNHNBHR-MRXNPFEDSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide (CID 164636859) is 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide is CCc1cc(CC(=O)NC[C@H]2CCC3(CCCCC3)O2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is IIQNHSLQNHNBHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-14-11-15(21(2)20-14)12-17(22)19-13-16-7-10-18(23-16)8-5-4-6-9-18/h11,16H,3-10,12-13H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide?
2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 164636859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).