2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde

C12H17N3O2 — CID 105496416

IUPAC2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCOCC1)CCNC2
InChIInChI=1S/C12H17N3O2/c16-8-12-10-7-13-4-1-11(10)14-15(12)9-2-5-17-6-3-9/h8-9,13H,1-7H2
InChIKeyZEJCRFCRQDTXSO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds2

About 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde

2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde (PubChem CID 105496416) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
PubChem CID105496416
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCOCC1)CCNC2
InChIInChI=1S/C12H17N3O2/c16-8-12-10-7-13-4-1-11(10)14-15(12)9-2-5-17-6-3-9/h8-9,13H,1-7H2
InChIKeyZEJCRFCRQDTXSO-UHFFFAOYSA-N
XLogP0.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105494791
2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105497694
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanamine
CID 105498001
2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105471198
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
2-pyrrolidin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105460873
2-(oxan-4-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105480663

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde (CID 105496416) is 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde is O=Cc1c2c(nn1C1CCOCC1)CCNC2.
What is the InChIKey of 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
The InChIKey is ZEJCRFCRQDTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-8-12-10-7-13-4-1-11(10)14-15(12)9-2-5-17-6-3-9/h8-9,13H,1-7H2.
What are the key properties of 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 105496416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).