2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde

C12H16N2O — CID 105456399

IUPAC2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCC1)CCCC2
InChIInChI=1S/C12H16N2O/c15-8-12-10-6-1-2-7-11(10)13-14(12)9-4-3-5-9/h8-9H,1-7H2
InChIKeyXYWBJHBMBMRGHM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.30
Rot. Bonds2

About 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde

2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (PubChem CID 105456399) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
PubChem CID105456399
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCC1)CCCC2
InChIInChI=1S/C12H16N2O/c15-8-12-10-6-1-2-7-11(10)13-14(12)9-4-3-5-9/h8-9H,1-7H2
InChIKeyXYWBJHBMBMRGHM-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
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-(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]pyridine-3-carbaldehyde
CID 105496416
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
(2-cycloheptyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 105493701
1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105493367
3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
CID 105460839
3-cycloheptyl-5-ethyltriazole-4-carbaldehyde
CID 105478077

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The IUPAC name of 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde (CID 105456399) is 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde.
What is the SMILES notation for 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The canonical SMILES for 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is O=Cc1c2c(nn1C1CCC1)CCCC2.
What is the InChIKey of 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
The InChIKey is XYWBJHBMBMRGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-8-12-10-6-1-2-7-11(10)13-14(12)9-4-3-5-9/h8-9H,1-7H2.
What are the key properties of 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde?
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde is sourced from PubChem (CID 105456399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).