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

C10H11N3OS — CID 121211890

IUPACmethyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
SMILES[H]/N=C(/Cn1ccc(-c2cccs2)n1)OC
InChIInChI=1S/C10H11N3OS/c1-14-10(11)7-13-5-4-8(12-13)9-3-2-6-15-9/h2-6,11H,7H2,1H3/b11-10-
InChIKeyHIDKZDARNOVYTC-KHPPLWFESA-N
MW221.29 g/mol
LogP2.24
Rot. Bonds3

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

methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate (PubChem CID 121211890) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
PubChem CID121211890
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Namemethyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate
SMILES[H]/N=C(/Cn1ccc(-c2cccs2)n1)OC
InChIInChI=1S/C10H11N3OS/c1-14-10(11)7-13-5-4-8(12-13)9-3-2-6-15-9/h2-6,11H,7H2,1H3/b11-10-
InChIKeyHIDKZDARNOVYTC-KHPPLWFESA-N
XLogP2.24
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.24
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-(5-ethyl-3-thiophen-2-ylpyrazol-1-yl)ethanimidate
CID 121211919
1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
CID 70375481
methyl 4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethylcarbamoyl]benzoate
CID 71808131
2-(3-thiophen-2-ylpyrazol-1-yl)ethanesulfonyl fluoride
CID 138056651
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
CID 121139809
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929
1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
CID 142843206
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboximidate
CID 121211106
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71808092
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
CID 141111832

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
The IUPAC name of methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate (CID 121211890) is methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate.
What is the SMILES notation for methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
The canonical SMILES for methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate is [H]/N=C(/Cn1ccc(-c2cccs2)n1)OC.
What is the InChIKey of methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
The InChIKey is HIDKZDARNOVYTC-KHPPLWFESA-N. The full InChI is InChI=1S/C10H11N3OS/c1-14-10(11)7-13-5-4-8(12-13)9-3-2-6-15-9/h2-6,11H,7H2,1H3/b11-10-.
What are the key properties of methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate?
methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate has a molecular weight of 221.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-thiophen-2-ylpyrazol-1-yl)ethanimidate is sourced from PubChem (CID 121211890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).