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

C10H15N3O4 — CID 19624167

IUPAC1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCOCCCNC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-17-6-2-4-11-9(14)7-13-5-3-8(12-13)10(15)16/h3,5H,2,4,6-7H2,1H3,(H,11,14)(H,15,16)
InChIKeyGICCLQDFLWFLLV-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.27
Rot. Bonds7

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

1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19624167) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19624167
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCOCCCNC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-17-6-2-4-11-9(14)7-13-5-3-8(12-13)10(15)16/h3,5H,2,4,6-7H2,1H3,(H,11,14)(H,15,16)
InChIKeyGICCLQDFLWFLLV-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

N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622294
1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624260
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 19624153
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19624167) is 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid is COCCCNC(=O)Cn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is GICCLQDFLWFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-17-6-2-4-11-9(14)7-13-5-3-8(12-13)10(15)16/h3,5H,2,4,6-7H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid?
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-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-3-carboxylic acid is sourced from PubChem (CID 19624167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).