1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde

C11H12N2O2S — CID 114798185

IUPAC1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCCn1cc(C=O)c(-c2sccc2OC)n1
InChIInChI=1S/C11H12N2O2S/c1-3-13-6-8(7-14)10(12-13)11-9(15-2)4-5-16-11/h4-7H,3H2,1-2H3
InChIKeyJYJOUDRLXFJKBZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.45
Rot. Bonds4

About 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde

1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde (PubChem CID 114798185) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
PubChem CID114798185
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
SMILESCCn1cc(C=O)c(-c2sccc2OC)n1
InChIInChI=1S/C11H12N2O2S/c1-3-13-6-8(7-14)10(12-13)11-9(15-2)4-5-16-11/h4-7H,3H2,1-2H3
InChIKeyJYJOUDRLXFJKBZ-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798133
3-(3-methoxythiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 114798080
1-ethyl-3-(1,3-thiazol-2-yl)pyrazole-4-carbaldehyde
CID 63992828
1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798221
1-ethyl-3-(2-fluoro-4,5-dimethoxyphenyl)pyrazole-4-carbaldehyde
CID 81042197
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266471
methyl 2-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121213555
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
1-ethyl-3-naphthalen-1-ylpyrazole-4-carbaldehyde
CID 61264156
1-ethyl-3-(4-methylsulfonylphenyl)pyrazole-4-carbaldehyde
CID 61264154
1,3-diethylpyrazole-4-carbaldehyde
CID 23005660
4-ethyl-3-(3-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81121896

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde (CID 114798185) is 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde is CCn1cc(C=O)c(-c2sccc2OC)n1.
What is the InChIKey of 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is JYJOUDRLXFJKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-13-6-8(7-14)10(12-13)11-9(15-2)4-5-16-11/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde?
1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 236.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 114798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).