3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde

C17H14N2O — CID 84761215

IUPAC3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde
SMILESC=CCn1nc(-c2ccc3ccccc3c2)cc1C=O
InChIInChI=1S/C17H14N2O/c1-2-9-19-16(12-20)11-17(18-19)15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10-12H,1,9H2
InChIKeyAVVFUHUZTIQUQW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.70
Rot. Bonds4

About 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde

3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde (PubChem CID 84761215) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde
PubChem CID84761215
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde
SMILESC=CCn1nc(-c2ccc3ccccc3c2)cc1C=O
InChIInChI=1S/C17H14N2O/c1-2-9-19-16(12-20)11-17(18-19)15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10-12H,1,9H2
InChIKeyAVVFUHUZTIQUQW-UHFFFAOYSA-N
XLogP3.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-prop-2-enylpyrazole-5-carbaldehyde
CID 84761202
1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
CID 84761398
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
ethane;2-naphthalen-2-ylnaphthalene;bis(prop-1-ene)
CID 144938631
N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326500
N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032
2-[[5-(4-bromophenyl)-1-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 134064527
benzo[f]azulene
CID 13065869
3-methyl-2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoic acid
CID 53368098
2-naphthalen-2-yl-4-phenylbenzaldehyde
CID 152589859
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline
CID 129040395
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde?
The IUPAC name of 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde (CID 84761215) is 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde is C=CCn1nc(-c2ccc3ccccc3c2)cc1C=O.
What is the InChIKey of 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde?
The InChIKey is AVVFUHUZTIQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-9-19-16(12-20)11-17(18-19)15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10-12H,1,9H2.
What are the key properties of 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde?
3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-prop-2-enylpyrazole-5-carbaldehyde is sourced from PubChem (CID 84761215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).