2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde

C12H16N2O3 — CID 105497694

IUPAC2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCOCC1)CCOC2
InChIInChI=1S/C12H16N2O3/c15-7-12-10-8-17-6-3-11(10)13-14(12)9-1-4-16-5-2-9/h7,9H,1-6,8H2
InChIKeyAMGMJRYHWRQZNW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.12
Rot. Bonds2

About 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde

2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde (PubChem CID 105497694) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
PubChem CID105497694
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCOCC1)CCOC2
InChIInChI=1S/C12H16N2O3/c15-7-12-10-8-17-6-3-11(10)13-14(12)9-1-4-16-5-2-9/h7,9H,1-6,8H2
InChIKeyAMGMJRYHWRQZNW-UHFFFAOYSA-N
XLogP1.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105496416
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105494791
2-cyclopropyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105438148
2-(oxan-4-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105480663
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
1-(oxan-4-yl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-amine
CID 105480660
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436
2-cyclopropyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105438145

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde?
The IUPAC name of 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde (CID 105497694) is 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde is O=Cc1c2c(nn1C1CCOCC1)CCOC2.
What is the InChIKey of 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde?
The InChIKey is AMGMJRYHWRQZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-7-12-10-8-17-6-3-11(10)13-14(12)9-1-4-16-5-2-9/h7,9H,1-6,8H2.
What are the key properties of 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde?
2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105497694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).