3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde

C9H8N2O2 — CID 83816616

IUPAC3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(-c2ccco2)cc1C=O
InChIInChI=1S/C9H8N2O2/c1-11-7(6-12)5-8(10-11)9-3-2-4-13-9/h2-6H,1H3
InChIKeyOLYHDZSILUGRHF-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.49
Rot. Bonds2

About 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde

3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde (PubChem CID 83816616) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde
PubChem CID83816616
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(-c2ccco2)cc1C=O
InChIInChI=1S/C9H8N2O2/c1-11-7(6-12)5-8(10-11)9-3-2-4-13-9/h2-6H,1H3
InChIKeyOLYHDZSILUGRHF-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 ≤ 500176.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde (CID 83816616) is 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde is Cn1nc(-c2ccco2)cc1C=O.
What is the InChIKey of 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde?
The InChIKey is OLYHDZSILUGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-11-7(6-12)5-8(10-11)9-3-2-4-13-9/h2-6H,1H3.
What are the key properties of 3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde?
3-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde has a molecular weight of 176.18 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-(furan-2-yl)-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 83816616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).