1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate

C13H15N3O2 — CID 61285964

IUPAC1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(OC(=O)Cn1cc(N)cn1)c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10(11-5-3-2-4-6-11)18-13(17)9-16-8-12(14)7-15-16/h2-8,10H,9,14H2,1H3
InChIKeyKORVKUWAAZAZBU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.77
Rot. Bonds4

About 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate

1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61285964) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61285964
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(OC(=O)Cn1cc(N)cn1)c1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10(11-5-3-2-4-6-11)18-13(17)9-16-8-12(14)7-15-16/h2-8,10H,9,14H2,1H3
InChIKeyKORVKUWAAZAZBU-UHFFFAOYSA-N
XLogP1.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylsulfanylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 79228564
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61310438
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315416
1-(2-phenylpropyl)pyrazol-4-amine
CID 50999732
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
2-(4-aminopyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 61113208
quinolin-2-ylmethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61314842
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate (CID 61285964) is 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate is CC(OC(=O)Cn1cc(N)cn1)c1ccccc1.
What is the InChIKey of 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is KORVKUWAAZAZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(11-5-3-2-4-6-11)18-13(17)9-16-8-12(14)7-15-16/h2-8,10H,9,14H2,1H3.
What are the key properties of 1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate?
1-phenylethyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.77, 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-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61285964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).