3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde

C11H12N2O2 — CID 106888467

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde
SMILESCCn1cc(-c2ccoc2C=O)c(C)n1
InChIInChI=1S/C11H12N2O2/c1-3-13-6-10(8(2)12-13)9-4-5-15-11(9)7-14/h4-7H,3H2,1-2H3
InChIKeyKONVBEMYESMQDS-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.28
Rot. Bonds3

About 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde

3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde (PubChem CID 106888467) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde
PubChem CID106888467
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde
SMILESCCn1cc(-c2ccoc2C=O)c(C)n1
InChIInChI=1S/C11H12N2O2/c1-3-13-6-10(8(2)12-13)9-4-5-15-11(9)7-14/h4-7H,3H2,1-2H3
InChIKeyKONVBEMYESMQDS-UHFFFAOYSA-N
XLogP2.28
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde (CID 106888467) is 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde is CCn1cc(-c2ccoc2C=O)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde?
The InChIKey is KONVBEMYESMQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-13-6-10(8(2)12-13)9-4-5-15-11(9)7-14/h4-7H,3H2,1-2H3.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde?
3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106888467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).