2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate

C13H15N3O2 — CID 62113235

IUPAC2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCCc2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c14-12-6-8-16(15-12)10-13(17)18-9-7-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,14,15)
InChIKeyUIFGSIATPRRPCD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.25
Rot. Bonds5

About 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate

2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62113235) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62113235
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCCc2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c14-12-6-8-16(15-12)10-13(17)18-9-7-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,14,15)
InChIKeyUIFGSIATPRRPCD-UHFFFAOYSA-N
XLogP1.25
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
CID 68584294
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 55035595
2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
CID 62111762
(5-cyano-5-methylhexyl) 2-(3-aminopyrazol-1-yl)acetate
CID 106713736
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
CID 62102852
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230954
quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113411
(5-bromothiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113590
(5-bromo-2-pyridinyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 104808464
2-phenylethyl imidazole-1-carboxylate
CID 15371420
(2-bromo-5-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 62111918

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate (CID 62113235) is 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCCc2ccccc2)n1.
What is the InChIKey of 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is UIFGSIATPRRPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-12-6-8-16(15-12)10-13(17)18-9-7-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,14,15).
What are the key properties of 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate?
2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62113235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).