2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid

C12H19N3O4 — CID 19622068

IUPAC2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCOCCCNC(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C12H19N3O4/c1-3-19-6-4-5-13-11(16)10-7-14-15(8-10)9(2)12(17)18/h7-9H,3-6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeySYYFPQOIRVHCCI-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.69
Rot. Bonds8

About 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622068) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622068
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCOCCCNC(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C12H19N3O4/c1-3-19-6-4-5-13-11(16)10-7-14-15(8-10)9(2)12(17)18/h7-9H,3-6H2,1-2H3,(H,13,16)(H,17,18)
InChIKeySYYFPQOIRVHCCI-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-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19504825
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622048
2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
CID 19549369
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622066
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
2-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622068) is 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid is CCOCCCNC(=O)c1cnn(C(C)C(=O)O)c1.
What is the InChIKey of 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is SYYFPQOIRVHCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-19-6-4-5-13-11(16)10-7-14-15(8-10)9(2)12(17)18/h7-9H,3-6H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic 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-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).