ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate

C14H17N5O3 — CID 174311478

IUPACethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate
SMILESCCOC(=O)C(=NN)c1ccc(-c2ccn(CCO)n2)cn1
InChIInChI=1S/C14H17N5O3/c1-2-22-14(21)13(17-15)12-4-3-10(9-16-12)11-5-6-19(18-11)7-8-20/h3-6,9,20H,2,7-8,15H2,1H3
InChIKeyAOQGUUFMMDNYCC-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.16
Rot. Bonds6

About ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate

ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate (PubChem CID 174311478) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate
PubChem CID174311478
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Nameethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate
SMILESCCOC(=O)C(=NN)c1ccc(-c2ccn(CCO)n2)cn1
InChIInChI=1S/C14H17N5O3/c1-2-22-14(21)13(17-15)12-4-3-10(9-16-12)11-5-6-19(18-11)7-8-20/h3-6,9,20H,2,7-8,15H2,1H3
InChIKeyAOQGUUFMMDNYCC-UHFFFAOYSA-N
XLogP0.16
TPSA115.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate (CID 174311478) is ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate is CCOC(=O)C(=NN)c1ccc(-c2ccn(CCO)n2)cn1.
What is the InChIKey of ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate?
The InChIKey is AOQGUUFMMDNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-2-22-14(21)13(17-15)12-4-3-10(9-16-12)11-5-6-19(18-11)7-8-20/h3-6,9,20H,2,7-8,15H2,1H3.
What are the key properties of ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate?
ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate has a molecular weight of 303.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate is sourced from PubChem (CID 174311478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).