2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C12H19N3O4 — CID 19489817

IUPAC2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCOCCCNC(=O)C(C)n1nccc1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-3-19-8-4-6-13-11(16)9(2)15-10(12(17)18)5-7-14-15/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyHVEKIGMJJXLEGF-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.69
Rot. Bonds8

About 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19489817) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19489817
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCCOCCCNC(=O)C(C)n1nccc1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-3-19-8-4-6-13-11(16)9(2)15-10(12(17)18)5-7-14-15/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyHVEKIGMJJXLEGF-UHFFFAOYSA-N
XLogP0.69
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.69
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-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815
2-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489814
2-[2-(3-ethoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485678
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
N-(3-ethoxypropyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537121
2-(1-carboxyethyl)pyrazole-3-carboxylic acid
CID 19489942
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487759
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19489817) is 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is CCOCCCNC(=O)C(C)n1nccc1C(=O)O.
What is the InChIKey of 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is HVEKIGMJJXLEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-19-8-4-6-13-11(16)9(2)15-10(12(17)18)5-7-14-15/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19489817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).