2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

C16H24ClN3O2 — CID 91843806

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESCc1nn(CC(=O)NC2COC3(CCCCC3)C2)c(C)c1Cl
InChIInChI=1S/C16H24ClN3O2/c1-11-15(17)12(2)20(19-11)9-14(21)18-13-8-16(22-10-13)6-4-3-5-7-16/h13H,3-10H2,1-2H3,(H,18,21)
InChIKeyYYRWGHGQAAWVLC-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91843806) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
PubChem CID91843806
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESCc1nn(CC(=O)NC2COC3(CCCCC3)C2)c(C)c1Cl
InChIInChI=1S/C16H24ClN3O2/c1-11-15(17)12(2)20(19-11)9-14(21)18-13-8-16(22-10-13)6-4-3-5-7-16/h13H,3-10H2,1-2H3,(H,18,21)
InChIKeyYYRWGHGQAAWVLC-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19543732
2-indazol-1-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]acetamide
CID 124752869
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
CID 19523302
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
CID 97126258
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 91776623
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 90652826
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 45197507
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19582300
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111658872
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49204369
N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120891766

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (CID 91843806) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is Cc1nn(CC(=O)NC2COC3(CCCCC3)C2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is YYRWGHGQAAWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11-15(17)12(2)20(19-11)9-14(21)18-13-8-16(22-10-13)6-4-3-5-7-16/h13H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 325.84 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91843806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).