N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide

C11H17N3O2 — CID 68666867

IUPACN-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)n(C2CCCCO2)n1
InChIInChI=1S/C11H17N3O2/c1-8-7-10(12-9(2)15)13-14(8)11-5-3-4-6-16-11/h7,11H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyWTDYLYNESLJEHH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.85
Rot. Bonds2

About N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide

N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide (PubChem CID 68666867) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide
PubChem CID68666867
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)n(C2CCCCO2)n1
InChIInChI=1S/C11H17N3O2/c1-8-7-10(12-9(2)15)13-14(8)11-5-3-4-6-16-11/h7,11H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyWTDYLYNESLJEHH-UHFFFAOYSA-N
XLogP1.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
N-[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351720
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
6-(4-bromo-2,5-dimethylphenyl)-5-chloro-4-N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]pyrimidine-2,4-diamine
CID 67168761
methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate
CID 155753721
5-cyclopropyl-6-(1-methylimidazol-4-yl)-N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]-2-methylsulfonylpyrimidin-4-amine
CID 172557724
methyl 4-acetamido-1-(oxan-2-yl)pyrazole-3-carboxylate
CID 167451213
N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide
CID 68667821
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
methyl 4-[[3-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-6-yl]amino]bicyclo[2.2.2]octane-1-carboxylate
CID 167450476
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide (CID 68666867) is N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)n(C2CCCCO2)n1.
What is the InChIKey of N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is WTDYLYNESLJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-7-10(12-9(2)15)13-14(8)11-5-3-4-6-16-11/h7,11H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 223.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 68666867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).