1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde

C15H12N2O — CID 84761398

IUPAC1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
SMILESCn1nc(-c2ccc3ccccc3c2)cc1C=O
InChIInChI=1S/C15H12N2O/c1-17-14(10-18)9-15(16-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
InChIKeyFIDVBEOQKFAYAE-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.05
Rot. Bonds2

About 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde

1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde (PubChem CID 84761398) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
PubChem CID84761398
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
SMILESCn1nc(-c2ccc3ccccc3c2)cc1C=O
InChIInChI=1S/C15H12N2O/c1-17-14(10-18)9-15(16-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
InChIKeyFIDVBEOQKFAYAE-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.05
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 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde?
The IUPAC name of 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde (CID 84761398) is 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde.
What is the SMILES notation for 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde?
The canonical SMILES for 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde is Cn1nc(-c2ccc3ccccc3c2)cc1C=O.
What is the InChIKey of 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde?
The InChIKey is FIDVBEOQKFAYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-14(10-18)9-15(16-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3.
What are the key properties of 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde?
1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde is sourced from PubChem (CID 84761398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).