1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid

C10H15N3O4 — CID 19622294

IUPAC1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCOCCCNC(=O)Cn1cc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O4/c1-17-4-2-3-11-9(14)7-13-6-8(5-12-13)10(15)16/h5-6H,2-4,7H2,1H3,(H,11,14)(H,15,16)
InChIKeyQDVJRZBUSCQGDI-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.27
Rot. Bonds7

About 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid

1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid (PubChem CID 19622294) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
PubChem CID19622294
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCOCCCNC(=O)Cn1cc(C(=O)O)cn1
InChIInChI=1S/C10H15N3O4/c1-17-4-2-3-11-9(14)7-13-6-8(5-12-13)10(15)16/h5-6H,2-4,7H2,1H3,(H,11,14)(H,15,16)
InChIKeyQDVJRZBUSCQGDI-UHFFFAOYSA-N
XLogP-0.27
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.27
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

1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622293
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624167
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622359
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrazol-4-yl]ethanone
CID 104649580
2-amino-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735160
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574
1-(3,3-dimethyl-2-oxobutyl)pyrazole-4-carboxylic acid
CID 121200111
1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid (CID 19622294) is 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid is COCCCNC(=O)Cn1cc(C(=O)O)cn1.
What is the InChIKey of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid?
The InChIKey is QDVJRZBUSCQGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-17-4-2-3-11-9(14)7-13-6-8(5-12-13)10(15)16/h5-6H,2-4,7H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid?
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).