nonyl 2-(3-aminopyrazol-1-yl)acetate

C14H25N3O2 — CID 62111921

IUPACnonyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCCCCCCCCCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-11-19-14(18)12-17-10-9-13(15)16-17/h9-10H,2-8,11-12H2,1H3,(H2,15,16)
InChIKeyJFOHMKINJDWSMR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.76
Rot. Bonds10

About nonyl 2-(3-aminopyrazol-1-yl)acetate

nonyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62111921) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is nonyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namenonyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62111921
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namenonyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCCCCCCCCCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-11-19-14(18)12-17-10-9-13(15)16-17/h9-10H,2-8,11-12H2,1H3,(H2,15,16)
InChIKeyJFOHMKINJDWSMR-UHFFFAOYSA-N
XLogP2.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of nonyl 2-(3-aminopyrazol-1-yl)acetate (CID 62111921) is nonyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for nonyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for nonyl 2-(3-aminopyrazol-1-yl)acetate is CCCCCCCCCOC(=O)Cn1ccc(N)n1.
What is the InChIKey of nonyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is JFOHMKINJDWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-11-19-14(18)12-17-10-9-13(15)16-17/h9-10H,2-8,11-12H2,1H3,(H2,15,16).
What are the key properties of nonyl 2-(3-aminopyrazol-1-yl)acetate?
nonyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 267.37 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62111921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).