1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde

C19H18N2O — CID 39095577

IUPAC1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
InChIInChI=1S/C19H18N2O/c1-14(2)15-8-10-16(11-9-15)19-17(13-22)12-21(20-19)18-6-4-3-5-7-18/h3-14H,1-2H3
InChIKeyOHAUIHARZCCPPJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.48
Rot. Bonds4

About 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde

1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde (PubChem CID 39095577) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
PubChem CID39095577
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1
InChIInChI=1S/C19H18N2O/c1-14(2)15-8-10-16(11-9-15)19-17(13-22)12-21(20-19)18-6-4-3-5-7-18/h3-14H,1-2H3
InChIKeyOHAUIHARZCCPPJ-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(4-acetylphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 152594279
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
CID 7063562
3-(4-azidophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 4060798
3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 2410978
1-(4-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 91871478
3-(4-propan-2-ylphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266287
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 6197113
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde (CID 39095577) is 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde is CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1.
What is the InChIKey of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is OHAUIHARZCCPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(2)15-8-10-16(11-9-15)19-17(13-22)12-21(20-19)18-6-4-3-5-7-18/h3-14H,1-2H3.
What are the key properties of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde?
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 290.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 39095577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).