[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C12H20N4O3 — CID 61323327

IUPAC[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCNC(=O)C(C)OC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C12H20N4O3/c1-5-14-12(18)9(4)19-10(17)6-16-8(3)11(13)7(2)15-16/h9H,5-6,13H2,1-4H3,(H,14,18)
InChIKeyMJPVMFBLEAHOPL-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.15
Rot. Bonds5

About [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61323327) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61323327
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCNC(=O)C(C)OC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C12H20N4O3/c1-5-14-12(18)9(4)19-10(17)6-16-8(3)11(13)7(2)15-16/h9H,5-6,13H2,1-4H3,(H,14,18)
InChIKeyMJPVMFBLEAHOPL-UHFFFAOYSA-N
XLogP0.15
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61323327) is [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is CCNC(=O)C(C)OC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is MJPVMFBLEAHOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-14-12(18)9(4)19-10(17)6-16-8(3)11(13)7(2)15-16/h9H,5-6,13H2,1-4H3,(H,14,18).
What are the key properties of [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 268.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61323327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).