nonyl 2-(4-aminopyrazol-1-yl)acetate

C14H25N3O2 — CID 61315598

IUPACnonyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCCCCCCCCCOC(=O)Cn1cc(N)cn1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-9-19-14(18)12-17-11-13(15)10-16-17/h10-11H,2-9,12,15H2,1H3
InChIKeyDDMYIIIZJLCOJL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.76
Rot. Bonds10

About nonyl 2-(4-aminopyrazol-1-yl)acetate

nonyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61315598) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is nonyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namenonyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61315598
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namenonyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCCCCCCCCCOC(=O)Cn1cc(N)cn1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-9-19-14(18)12-17-11-13(15)10-16-17/h10-11H,2-9,12,15H2,1H3
InChIKeyDDMYIIIZJLCOJL-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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Related Compounds

2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217
[3-(methylamino)-3-oxopropyl] 2-(4-aminopyrazol-1-yl)acetate
CID 62325201
3-(2,2,2-trifluoroethoxy)propyl 2-(4-aminopyrazol-1-yl)acetate
CID 61491638
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
heptyl 2-[4-(aminomethyl)triazol-1-yl]acetate
CID 113313984
2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
CID 43575022
2-(2,2,2-trifluoroethoxy)ethyl 2-(4-aminopyrazol-1-yl)acetate
CID 54961808
2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
CID 54961563
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
2-(4-aminopyrazol-1-yl)-N,N-dipropylacetamide
CID 43445164
pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814988

Frequently Asked Questions

What is the IUPAC name of nonyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of nonyl 2-(4-aminopyrazol-1-yl)acetate (CID 61315598) is nonyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for nonyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for nonyl 2-(4-aminopyrazol-1-yl)acetate is CCCCCCCCCOC(=O)Cn1cc(N)cn1.
What is the InChIKey of nonyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is DDMYIIIZJLCOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-9-19-14(18)12-17-11-13(15)10-16-17/h10-11H,2-9,12,15H2,1H3.
What are the key properties of nonyl 2-(4-aminopyrazol-1-yl)acetate?
nonyl 2-(4-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-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61315598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).