4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid

C11H13N3O3 — CID 79209688

IUPAC4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(Cn1cccn1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H13N3O3/c15-10(7-14-5-1-4-12-14)13-9-3-2-8(6-9)11(16)17/h1-5,8-9H,6-7H2,(H,13,15)(H,16,17)
InChIKeyGYXGMAHNSGQTJY-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.03
Rot. Bonds4

About 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209688) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209688
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(Cn1cccn1)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H13N3O3/c15-10(7-14-5-1-4-12-14)13-9-3-2-8(6-9)11(16)17/h1-5,8-9H,6-7H2,(H,13,15)(H,16,17)
InChIKeyGYXGMAHNSGQTJY-UHFFFAOYSA-N
XLogP0.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79209688) is 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(Cn1cccn1)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is GYXGMAHNSGQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(7-14-5-1-4-12-14)13-9-3-2-8(6-9)11(16)17/h1-5,8-9H,6-7H2,(H,13,15)(H,16,17).
What are the key properties of 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).