[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate

C19H17N3O3 — CID 32935657

IUPAC[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESNC(=O)[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C19H17N3O3/c20-19(24)18(15-7-3-1-4-8-15)25-17(23)11-14-12-21-22(13-14)16-9-5-2-6-10-16/h1-10,12-13,18H,11H2,(H2,20,24)/t18-/m1/s1
InChIKeyKJDUNMWJCBKIEE-GOSISDBHSA-N
MW335.36 g/mol
LogP2.18
Rot. Bonds6

About [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate

[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32935657) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32935657
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESNC(=O)[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C19H17N3O3/c20-19(24)18(15-7-3-1-4-8-15)25-17(23)11-14-12-21-22(13-14)16-9-5-2-6-10-16/h1-10,12-13,18H,11H2,(H2,20,24)/t18-/m1/s1
InChIKeyKJDUNMWJCBKIEE-GOSISDBHSA-N
XLogP2.18
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022979
(6-chloro-3-pyridinyl)methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 46542882
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55449104
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134046181
2-(1-phenylpyrazol-4-yl)ethanimidamide
CID 83880704
[(2R)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31023650
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(1-phenylpyrazol-4-yl)acetate
CID 55563409
(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
CID 16595235

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate (CID 32935657) is [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate is NC(=O)[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is KJDUNMWJCBKIEE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-19(24)18(15-7-3-1-4-8-15)25-17(23)11-14-12-21-22(13-14)16-9-5-2-6-10-16/h1-10,12-13,18H,11H2,(H2,20,24)/t18-/m1/s1.
What are the key properties of [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate?
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 335.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32935657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).