5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde

C18H22N2O — CID 23498950

IUPAC5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCC1(C)CCC(C)(C)c2cc(-n3cccn3)c(C=O)cc21
InChIInChI=1S/C18H22N2O/c1-17(2)6-7-18(3,4)15-11-16(20-9-5-8-19-20)13(12-21)10-14(15)17/h5,8-12H,6-7H2,1-4H3
InChIKeyHTSQPMUECDBUPM-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.03
Rot. Bonds2

About 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde

5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde (PubChem CID 23498950) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde
PubChem CID23498950
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCC1(C)CCC(C)(C)c2cc(-n3cccn3)c(C=O)cc21
InChIInChI=1S/C18H22N2O/c1-17(2)6-7-18(3,4)15-11-16(20-9-5-8-19-20)13(12-21)10-14(15)17/h5,8-12H,6-7H2,1-4H3
InChIKeyHTSQPMUECDBUPM-UHFFFAOYSA-N
XLogP4.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde (CID 23498950) is 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde is CC1(C)CCC(C)(C)c2cc(-n3cccn3)c(C=O)cc21.
What is the InChIKey of 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde?
The InChIKey is HTSQPMUECDBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-17(2)6-7-18(3,4)15-11-16(20-9-5-8-19-20)13(12-21)10-14(15)17/h5,8-12H,6-7H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde?
5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde has a molecular weight of 282.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-3-pyrazol-1-yl-6,7-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 23498950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).