amino 2-pyrazol-1-ylacetate

C5H7N3O2 — CID 175809673

IUPACamino 2-pyrazol-1-ylacetate
SMILESNOC(=O)Cn1cccn1
InChIInChI=1S/C5H7N3O2/c6-10-5(9)4-8-3-1-2-7-8/h1-3H,4,6H2
InChIKeyIOSJGTLFATWFMR-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.70
Rot. Bonds2

About amino 2-pyrazol-1-ylacetate

amino 2-pyrazol-1-ylacetate (PubChem CID 175809673) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is amino 2-pyrazol-1-ylacetate.

Molecular Properties

Compound Nameamino 2-pyrazol-1-ylacetate
PubChem CID175809673
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Nameamino 2-pyrazol-1-ylacetate
SMILESNOC(=O)Cn1cccn1
InChIInChI=1S/C5H7N3O2/c6-10-5(9)4-8-3-1-2-7-8/h1-3H,4,6H2
InChIKeyIOSJGTLFATWFMR-UHFFFAOYSA-N
XLogP-0.70
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,4-trifluorobut-3-enyl 2-pyrazol-1-ylacetate
CID 163220388
ethyl 4-oxo-5-pyrazol-1-ylpentanoate
CID 103484644
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
CID 54984137
2-hydroxyethyl 3-pyrazol-1-ylpropanoate
CID 54088035
ethyl 2-bromo-3-pyrazol-1-ylpropanoate
CID 134975467
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
3-methyl-4-pyrazol-1-ylbut-2-enoic acid
CID 77005716
pyrazol-1-ylmethylcarbamic acid;hydrochloride
CID 70297363
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745

Frequently Asked Questions

What is the IUPAC name of amino 2-pyrazol-1-ylacetate?
The IUPAC name of amino 2-pyrazol-1-ylacetate (CID 175809673) is amino 2-pyrazol-1-ylacetate.
What is the SMILES notation for amino 2-pyrazol-1-ylacetate?
The canonical SMILES for amino 2-pyrazol-1-ylacetate is NOC(=O)Cn1cccn1.
What is the InChIKey of amino 2-pyrazol-1-ylacetate?
The InChIKey is IOSJGTLFATWFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-10-5(9)4-8-3-1-2-7-8/h1-3H,4,6H2.
What are the key properties of amino 2-pyrazol-1-ylacetate?
amino 2-pyrazol-1-ylacetate has a molecular weight of 141.13 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-pyrazol-1-ylacetate is sourced from PubChem (CID 175809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).