methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate

C12H15N3OS — CID 121211919

IUPACmethyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
SMILES[H]/N=C(/Cn1nc(-c2cccs2)cc1CC)OC
InChIInChI=1S/C12H15N3OS/c1-3-9-7-10(11-5-4-6-17-11)14-15(9)8-12(13)16-2/h4-7,13H,3,8H2,1-2H3/b13-12-
InChIKeyAXUGZQAOUFCKOV-SEYXRHQNSA-N
MW249.34 g/mol
LogP2.80
Rot. Bonds4

About methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate

methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate (PubChem CID 121211919) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
PubChem CID121211919
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Namemethyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
SMILES[H]/N=C(/Cn1nc(-c2cccs2)cc1CC)OC
InChIInChI=1S/C12H15N3OS/c1-3-9-7-10(11-5-4-6-17-11)14-15(9)8-12(13)16-2/h4-7,13H,3,8H2,1-2H3/b13-12-
InChIKeyAXUGZQAOUFCKOV-SEYXRHQNSA-N
XLogP2.80
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211890
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175
methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate
CID 121211106
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
CID 121211921
2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 82445319
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
The IUPAC name of methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate (CID 121211919) is methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate.
What is the SMILES notation for methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
The canonical SMILES for methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate is [H]/N=C(/Cn1nc(-c2cccs2)cc1CC)OC.
What is the InChIKey of methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
The InChIKey is AXUGZQAOUFCKOV-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-9-7-10(11-5-4-6-17-11)14-15(9)8-12(13)16-2/h4-7,13H,3,8H2,1-2H3/b13-12-.
What are the key properties of methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate has a molecular weight of 249.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate is sourced from PubChem (CID 121211919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).