4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde

C14H14N2O — CID 105483954

IUPAC4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2ncc3c2CCCC3)cc1
InChIInChI=1S/C14H14N2O/c17-10-11-5-7-13(8-6-11)16-14-4-2-1-3-12(14)9-15-16/h5-10H,1-4H2
InChIKeyBFPGJLCTEVYXHS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.56
Rot. Bonds2

About 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde

4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde (PubChem CID 105483954) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde
PubChem CID105483954
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde
SMILESO=Cc1ccc(-n2ncc3c2CCCC3)cc1
InChIInChI=1S/C14H14N2O/c17-10-11-5-7-13(8-6-11)16-14-4-2-1-3-12(14)9-15-16/h5-10H,1-4H2
InChIKeyBFPGJLCTEVYXHS-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.56
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

1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 158250793
4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
CID 105485455
4,5,6,7-tetrahydroindazole-1-carbaldehyde
CID 67323416
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
CID 105484597
1-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84679841
4-(5-methylpyrazol-1-yl)benzaldehyde
CID 105442092
1-ethenyl-4,5,6,7-tetrahydroindazole
CID 13403405
1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904563
1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone
CID 95857400
1-methyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 86238304
4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
CID 106913640
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde?
The IUPAC name of 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde (CID 105483954) is 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde is O=Cc1ccc(-n2ncc3c2CCCC3)cc1.
What is the InChIKey of 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde?
The InChIKey is BFPGJLCTEVYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-10-11-5-7-13(8-6-11)16-14-4-2-1-3-12(14)9-15-16/h5-10H,1-4H2.
What are the key properties of 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde?
4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde is sourced from PubChem (CID 105483954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).