3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde

C15H14N2O2 — CID 43141289

IUPAC3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
SMILESCCc1c(-c2nn(C)cc2C=O)oc2ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-11-12-6-4-5-7-13(12)19-15(11)14-10(9-18)8-17(2)16-14/h4-9H,3H2,1-2H3
InChIKeyDAGVKHMGBRDBBS-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.21
Rot. Bonds3

About 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde

3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde (PubChem CID 43141289) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
PubChem CID43141289
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
SMILESCCc1c(-c2nn(C)cc2C=O)oc2ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-11-12-6-4-5-7-13(12)19-15(11)14-10(9-18)8-17(2)16-14/h4-9H,3H2,1-2H3
InChIKeyDAGVKHMGBRDBBS-UHFFFAOYSA-N
XLogP3.21
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine
CID 79484527
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
3-(1-benzofuran-3-yl)-1-butylpyrazole-4-carbaldehyde
CID 115389267
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
CID 114763761
3,4-diethylchromen-2-one
CID 11680028
3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde
CID 61266472
1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
CID 82388354
1-ethyl-3-naphthalen-1-ylpyrazole-4-carbaldehyde
CID 61264156
6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115403398
1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111513

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde (CID 43141289) is 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde is CCc1c(-c2nn(C)cc2C=O)oc2ccccc12.
What is the InChIKey of 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde?
The InChIKey is DAGVKHMGBRDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-11-12-6-4-5-7-13(12)19-15(11)14-10(9-18)8-17(2)16-14/h4-9H,3H2,1-2H3.
What are the key properties of 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde?
3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde has a molecular weight of 254.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43141289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).