1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde

C7H8N2O2 — CID 83863022

IUPAC1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)c2c1COC2
InChIInChI=1S/C7H8N2O2/c1-9-7-4-11-3-5(7)6(2-10)8-9/h2H,3-4H2,1H3
InChIKeyIQWFHVMEUFYQSR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.26
Rot. Bonds1

About 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde

1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde (PubChem CID 83863022) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde
PubChem CID83863022
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)c2c1COC2
InChIInChI=1S/C7H8N2O2/c1-9-7-4-11-3-5(7)6(2-10)8-9/h2H,3-4H2,1H3
InChIKeyIQWFHVMEUFYQSR-UHFFFAOYSA-N
XLogP0.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.26
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 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde?
The IUPAC name of 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde (CID 83863022) is 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde is Cn1nc(C=O)c2c1COC2.
What is the InChIKey of 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde?
The InChIKey is IQWFHVMEUFYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-9-7-4-11-3-5(7)6(2-10)8-9/h2H,3-4H2,1H3.
What are the key properties of 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde?
1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 83863022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).