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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Related Compounds

N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47136397
N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
CID 164643020
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 19570589
N-({8-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}methyl)cyclohexanecarboxamide
CID 45180368
1-methyl-N-{[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-3-propyl-1H-pyrazole-5-carboxamide
CID 45186618
2-(3-butyl-1-methylpyrazol-5-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 140266726
2-(1-methyl-3-pentylpyrazol-5-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 140266857
2-(1-methyl-3-propylpyrazol-5-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 140266882
N-[[(2S)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
CID 26274659
N-[[(2R)-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
CID 26274660
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 34748958
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 34748961

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).