3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

C19H18N2O — CID 2063317

IUPAC3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2cc(C=O)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2O/c1-14-3-7-16(8-4-14)11-21-12-18(13-22)19(20-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3
InChIKeyGIUSNILTDYPHLP-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.03
Rot. Bonds4

About 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 2063317) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID2063317
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2cc(C=O)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2O/c1-14-3-7-16(8-4-14)11-21-12-18(13-22)19(20-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3
InChIKeyGIUSNILTDYPHLP-UHFFFAOYSA-N
XLogP4.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.03
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-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carboxaldehyde
CID 3775241
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 703492
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 2497380

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (CID 2063317) is 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is Cc1ccc(Cn2cc(C=O)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is GIUSNILTDYPHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-3-7-16(8-4-14)11-21-12-18(13-22)19(20-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 290.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 2063317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).