[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C12H18N4O3 — CID 61321043

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCC(=O)NC2CC2)c(C)c1N
InChIInChI=1S/C12H18N4O3/c1-7-12(13)8(2)16(15-7)5-11(18)19-6-10(17)14-9-3-4-9/h9H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyQXUUIJYKWRMXBV-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.10
Rot. Bonds5

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

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61321043) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61321043
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCC(=O)NC2CC2)c(C)c1N
InChIInChI=1S/C12H18N4O3/c1-7-12(13)8(2)16(15-7)5-11(18)19-6-10(17)14-9-3-4-9/h9H,3-6,13H2,1-2H3,(H,14,17)
InChIKeyQXUUIJYKWRMXBV-UHFFFAOYSA-N
XLogP-0.10
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43445175
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)acetamide
CID 61466568
cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 65459981
(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
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322941
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
4-cyanobutyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 54966380

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61321043) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OCC(=O)NC2CC2)c(C)c1N.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is QXUUIJYKWRMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-12(13)8(2)16(15-7)5-11(18)19-6-10(17)14-9-3-4-9/h9H,3-6,13H2,1-2H3,(H,14,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 266.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61321043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).