2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde

C12H16N2O2 — CID 105475688

IUPAC2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCCC1)COCC2
InChIInChI=1S/C12H16N2O2/c15-7-12-10-5-6-16-8-11(10)13-14(12)9-3-1-2-4-9/h7,9H,1-6,8H2
InChIKeyVWWFSJUEBKTMLP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.88
Rot. Bonds2

About 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde

2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde (PubChem CID 105475688) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
PubChem CID105475688
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCCC1)COCC2
InChIInChI=1S/C12H16N2O2/c15-7-12-10-5-6-16-8-11(10)13-14(12)9-3-1-2-4-9/h7,9H,1-6,8H2
InChIKeyVWWFSJUEBKTMLP-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105497694
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
2-cyclohexyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105478038
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
2-cyclopropyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105438145
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105496416
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-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105494791
2-(1-cyclopropylazetidin-3-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105494782
2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde?
The IUPAC name of 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde (CID 105475688) is 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde is O=Cc1c2c(nn1C1CCCC1)COCC2.
What is the InChIKey of 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde?
The InChIKey is VWWFSJUEBKTMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-7-12-10-5-6-16-8-11(10)13-14(12)9-3-1-2-4-9/h7,9H,1-6,8H2.
What are the key properties of 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde?
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105475688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).