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

C9H15N3O3 — CID 62111749

IUPAC3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCOCCCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H15N3O3/c1-14-5-2-6-15-9(13)7-12-4-3-8(10)11-12/h3-4H,2,5-7H2,1H3,(H2,10,11)
InChIKeyPBIBBVWUIDRZHR-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.05
Rot. Bonds6

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

3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62111749) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62111749
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCOCCCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H15N3O3/c1-14-5-2-6-15-9(13)7-12-4-3-8(10)11-12/h3-4H,2,5-7H2,1H3,(H2,10,11)
InChIKeyPBIBBVWUIDRZHR-UHFFFAOYSA-N
XLogP0.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate (CID 62111749) is 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate is COCCCOC(=O)Cn1ccc(N)n1.
What is the InChIKey of 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is PBIBBVWUIDRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-5-2-6-15-9(13)7-12-4-3-8(10)11-12/h3-4H,2,5-7H2,1H3,(H2,10,11).
What are the key properties of 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate?
3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 213.24 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62111749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).