methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate

C11H10N2O3S — CID 121213555

IUPACmethyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1cc(C=O)c(-c2cccs2)n1
InChIInChI=1S/C11H10N2O3S/c1-16-10(15)6-13-5-8(7-14)11(12-13)9-3-2-4-17-9/h2-5,7H,6H2,1H3
InChIKeyLZPHLWQYJXLJGN-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate

methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate (PubChem CID 121213555) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
PubChem CID121213555
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Namemethyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
SMILESCOC(=O)Cn1cc(C=O)c(-c2cccs2)n1
InChIInChI=1S/C11H10N2O3S/c1-16-10(15)6-13-5-8(7-14)11(12-13)9-3-2-4-17-9/h2-5,7H,6H2,1H3
InChIKeyLZPHLWQYJXLJGN-UHFFFAOYSA-N
XLogP1.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile
CID 1990367
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 2473254
1-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 42281966
1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 7131685
ethyl 2-(4-formyl-3-phenyl-1H-pyrazol-1-yl)acetate
CID 24206538
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 38997102
Methyl 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylate
CID 6483975
5-(1-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-carbaldehyde
CID 89615645
2-[3-(3-Fluorothiophen-2-yl)-4-methylpyrazol-1-yl]-2-methylpropanal
CID 142565756
methyl N-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]carbonyl}glycinate
CID 976813

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate (CID 121213555) is methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate is COC(=O)Cn1cc(C=O)c(-c2cccs2)n1.
What is the InChIKey of methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate?
The InChIKey is LZPHLWQYJXLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-10(15)6-13-5-8(7-14)11(12-13)9-3-2-4-17-9/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate?
methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate has a molecular weight of 250.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate is sourced from PubChem (CID 121213555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).