3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde

C9H8N2O2 — CID 106886490

IUPAC3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde
SMILESCn1nccc1-c1ccoc1C=O
InChIInChI=1S/C9H8N2O2/c1-11-8(2-4-10-11)7-3-5-13-9(7)6-12/h2-6H,1H3
InChIKeyASHINLWPVWWNGP-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.49
Rot. Bonds2

About 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde

3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde (PubChem CID 106886490) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde
PubChem CID106886490
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde
SMILESCn1nccc1-c1ccoc1C=O
InChIInChI=1S/C9H8N2O2/c1-11-8(2-4-10-11)7-3-5-13-9(7)6-12/h2-6H,1H3
InChIKeyASHINLWPVWWNGP-UHFFFAOYSA-N
XLogP1.49
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.49
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-(2-methylpyrazol-3-yl)furan-2-carbaldehyde?
The IUPAC name of 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde (CID 106886490) is 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde is Cn1nccc1-c1ccoc1C=O.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde?
The InChIKey is ASHINLWPVWWNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-8(2-4-10-11)7-3-5-13-9(7)6-12/h2-6H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde?
3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde has a molecular weight of 176.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)furan-2-carbaldehyde is sourced from PubChem (CID 106886490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).