methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate

C13H17N3O3 — CID 47291936

IUPACmethyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CC2C=CCC2)cn1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)9-16-8-11(7-14-16)15-12(17)6-10-4-2-3-5-10/h2,4,7-8,10H,3,5-6,9H2,1H3,(H,15,17)
InChIKeyZTTVDYQWGIAXJW-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds5

About methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate

methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate (PubChem CID 47291936) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate
PubChem CID47291936
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)CC2C=CCC2)cn1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)9-16-8-11(7-14-16)15-12(17)6-10-4-2-3-5-10/h2,4,7-8,10H,3,5-6,9H2,1H3,(H,15,17)
InChIKeyZTTVDYQWGIAXJW-UHFFFAOYSA-N
XLogP1.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate (CID 47291936) is methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)CC2C=CCC2)cn1.
What is the InChIKey of methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate?
The InChIKey is ZTTVDYQWGIAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-13(18)9-16-8-11(7-14-16)15-12(17)6-10-4-2-3-5-10/h2,4,7-8,10H,3,5-6,9H2,1H3,(H,15,17).
What are the key properties of methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate?
methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate has a molecular weight of 263.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-cyclopent-2-en-1-ylacetyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 47291936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).