4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde

C15H12N2O — CID 139675198

IUPAC4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
SMILESCc1cnn(-c2cccc3ccccc23)c1C=O
InChIInChI=1S/C15H12N2O/c1-11-9-16-17(15(11)10-18)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3
InChIKeyBSYIISGKNHXWGQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds2

About 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde

4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde (PubChem CID 139675198) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
PubChem CID139675198
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
SMILESCc1cnn(-c2cccc3ccccc23)c1C=O
InChIInChI=1S/C15H12N2O/c1-11-9-16-17(15(11)10-18)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3
InChIKeyBSYIISGKNHXWGQ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

4-methyl-1-(3-methylphenyl)pyrazole-5-carbaldehyde
CID 139674959
5-(2-methylpropyl)-1-naphthalen-1-yltriazole-4-carbaldehyde
CID 82199745
1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde
CID 82199758
1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
CID 139674921
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
ethyl 1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610378
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
2-amino-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 97119383
2-naphthalen-1-yltriazole
CID 57075336
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
CID 72886463
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde?
The IUPAC name of 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde (CID 139675198) is 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde is Cc1cnn(-c2cccc3ccccc23)c1C=O.
What is the InChIKey of 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde?
The InChIKey is BSYIISGKNHXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-9-16-17(15(11)10-18)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3.
What are the key properties of 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde?
4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde is sourced from PubChem (CID 139675198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).