cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C12H19N3O2 — CID 65459981

IUPACcyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCC2CCC2)c(C)c1N
InChIInChI=1S/C12H19N3O2/c1-8-12(13)9(2)15(14-8)6-11(16)17-7-10-4-3-5-10/h10H,3-7,13H2,1-2H3
InChIKeyWBQVSXRAOPIVHT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds4

About cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 65459981) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namecyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID65459981
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namecyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCC2CCC2)c(C)c1N
InChIInChI=1S/C12H19N3O2/c1-8-12(13)9(2)15(14-8)6-11(16)17-7-10-4-3-5-10/h10H,3-7,13H2,1-2H3
InChIKeyWBQVSXRAOPIVHT-UHFFFAOYSA-N
XLogP1.43
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321043
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107396881
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322941
1-(3-cyclobutylpropyl)-3,5-dimethylpyrazol-4-amine
CID 165472719
4-cyanobutyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 54966380
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 43382384
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 43445232
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 65459981) is cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OCC2CCC2)c(C)c1N.
What is the InChIKey of cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is WBQVSXRAOPIVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-12(13)9(2)15(14-8)6-11(16)17-7-10-4-3-5-10/h10H,3-7,13H2,1-2H3.
What are the key properties of cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 65459981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).