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

C11H18N4O3 — CID 62900452

IUPAC(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCC(OC(=O)Cn1nc(C)c(N)c1C)C(N)=O
InChIInChI=1S/C11H18N4O3/c1-4-8(11(13)17)18-9(16)5-15-7(3)10(12)6(2)14-15/h8H,4-5,12H2,1-3H3,(H2,13,17)
InChIKeyLAHXRDBSCPWESC-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.11
Rot. Bonds5

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

(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 62900452) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID62900452
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCC(OC(=O)Cn1nc(C)c(N)c1C)C(N)=O
InChIInChI=1S/C11H18N4O3/c1-4-8(11(13)17)18-9(16)5-15-7(3)10(12)6(2)14-15/h8H,4-5,12H2,1-3H3,(H2,13,17)
InChIKeyLAHXRDBSCPWESC-UHFFFAOYSA-N
XLogP-0.11
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61323327
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61310438
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322941
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
4-cyanobutyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 54966380
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112656429
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 65459981
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 62900452) is (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is CCC(OC(=O)Cn1nc(C)c(N)c1C)C(N)=O.
What is the InChIKey of (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is LAHXRDBSCPWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-8(11(13)17)18-9(16)5-15-7(3)10(12)6(2)14-15/h8H,4-5,12H2,1-3H3,(H2,13,17).
What are the key properties of (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 254.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 62900452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).