2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid

C14H15N3O3 — CID 19485535

IUPAC2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
SMILESO=C(Cn1nccc1C(=O)O)NCCc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-13(10-17-12(14(19)20)7-9-16-17)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,15,18)(H,19,20)
InChIKeyCBAHYQMZCGSXBN-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.94
Rot. Bonds6

About 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid

2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid (PubChem CID 19485535) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
PubChem CID19485535
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
SMILESO=C(Cn1nccc1C(=O)O)NCCc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-13(10-17-12(14(19)20)7-9-16-17)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,15,18)(H,19,20)
InChIKeyCBAHYQMZCGSXBN-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-2-(2-phenylethylamino)ethyl]triazole-4-carboxylic acid
CID 82202621
2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485720
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485568
2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485678
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325040
2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19482824
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 60548380
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid (CID 19485535) is 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid is O=C(Cn1nccc1C(=O)O)NCCc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid?
The InChIKey is CBAHYQMZCGSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(10-17-12(14(19)20)7-9-16-17)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,15,18)(H,19,20).
What are the key properties of 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid?
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).