2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

C11H17N3O4 — CID 19485678

IUPAC2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCOCCCNC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-18-7-3-5-12-10(15)8-14-9(11(16)17)4-6-13-14/h4,6H,2-3,5,7-8H2,1H3,(H,12,15)(H,16,17)
InChIKeyDGNYFUKJVSRHBL-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.12
Rot. Bonds8

About 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485678) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485678
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCOCCCNC(=O)Cn1nccc1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-18-7-3-5-12-10(15)8-14-9(11(16)17)4-6-13-14/h4,6H,2-3,5,7-8H2,1H3,(H,12,15)(H,16,17)
InChIKeyDGNYFUKJVSRHBL-UHFFFAOYSA-N
XLogP0.12
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485568
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
2-[2-[3-(4-bromo-3-methylpyrazol-1-yl)propylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485622
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482652
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485678) is 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is CCOCCCNC(=O)Cn1nccc1C(=O)O.
What is the InChIKey of 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is DGNYFUKJVSRHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-18-7-3-5-12-10(15)8-14-9(11(16)17)4-6-13-14/h4,6H,2-3,5,7-8H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).