1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde

C15H12N2O — CID 126649663

IUPAC1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)cn2)c2ccccc12
InChIInChI=1S/C15H12N2O/c1-11-6-7-15(14-5-3-2-4-13(11)14)17-9-12(10-18)8-16-17/h2-10H,1H3
InChIKeyHPNRHDAYBIMPNM-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.15
Rot. Bonds2

About 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde

1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde (PubChem CID 126649663) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde
PubChem CID126649663
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)cn2)c2ccccc12
InChIInChI=1S/C15H12N2O/c1-11-6-7-15(14-5-3-2-4-13(11)14)17-9-12(10-18)8-16-17/h2-10H,1H3
InChIKeyHPNRHDAYBIMPNM-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

1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 71606893
1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde
CID 137351204
1-(5-formyl-2-methylphenyl)pyrazole-4-carboxamide
CID 105405310
1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
CID 121268943
1-(trihydroxymethyl)pyrazole-4-carbaldehyde
CID 178139527
4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
CID 158869252
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
1-(4-butylphenyl)pyrazole-4-carbaldehyde
CID 26183395
4-(4-fluoropyrazol-1-yl)-2-methylquinoline
CID 141419462
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
5,8-dimethylquinoline-3-carbaldehyde
CID 82111610
4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
CID 139675198

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde (CID 126649663) is 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde is Cc1ccc(-n2cc(C=O)cn2)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde?
The InChIKey is HPNRHDAYBIMPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-7-15(14-5-3-2-4-13(11)14)17-9-12(10-18)8-16-17/h2-10H,1H3.
What are the key properties of 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde?
1-(4-methylnaphthalen-1-yl)pyrazole-4-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 1-(4-methylnaphthalen-1-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 126649663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).