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

C15H19N3O2 — CID 61310438

IUPAC1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OC(C)c2ccccc2)c(C)c1N
InChIInChI=1S/C15H19N3O2/c1-10-15(16)11(2)18(17-10)9-14(19)20-12(3)13-7-5-4-6-8-13/h4-8,12H,9,16H2,1-3H3
InChIKeyCAPJVYGRXJBBDZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds4

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

1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61310438) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61310438
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OC(C)c2ccccc2)c(C)c1N
InChIInChI=1S/C15H19N3O2/c1-10-15(16)11(2)18(17-10)9-14(19)20-12(3)13-7-5-4-6-8-13/h4-8,12H,9,16H2,1-3H3
InChIKeyCAPJVYGRXJBBDZ-UHFFFAOYSA-N
XLogP2.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-phenylethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 7869238
[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61323327
1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285964
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 62900452
[(1R)-1-(3-nitrophenyl)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 8852093
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61309101
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61310438) is 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OC(C)c2ccccc2)c(C)c1N.
What is the InChIKey of 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is CAPJVYGRXJBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-15(16)11(2)18(17-10)9-14(19)20-12(3)13-7-5-4-6-8-13/h4-8,12H,9,16H2,1-3H3.
What are the key properties of 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61310438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).