1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde

C15H16N2O — CID 63772321

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CC2CCCc3ccccc32)c1
InChIInChI=1S/C15H16N2O/c18-11-12-8-16-17(9-12)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7-9,11,14H,3,5-6,10H2
InChIKeyUUCNEHXNFZISIK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.82
Rot. Bonds3

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde (PubChem CID 63772321) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde
PubChem CID63772321
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CC2CCCc3ccccc32)c1
InChIInChI=1S/C15H16N2O/c18-11-12-8-16-17(9-12)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7-9,11,14H,3,5-6,10H2
InChIKeyUUCNEHXNFZISIK-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.82
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-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79104229
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
2-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108436
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
6-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridazin-3-one
CID 116788347
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115619085

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde (CID 63772321) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde is O=Cc1cnn(CC2CCCc3ccccc32)c1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde?
The InChIKey is UUCNEHXNFZISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-11-12-8-16-17(9-12)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-2,4,7-9,11,14H,3,5-6,10H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 63772321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).