1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde

C15H15F3N2O — CID 43328598

IUPAC1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
SMILESCC(C)Cn1cc(C=O)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N2O/c1-10(2)7-20-8-12(9-21)14(19-20)11-4-3-5-13(6-11)15(16,17)18/h3-6,8-10H,7H2,1-2H3
InChIKeyFRWOTBUXTXTZPH-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde

1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde (PubChem CID 43328598) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
PubChem CID43328598
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
SMILESCC(C)Cn1cc(C=O)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N2O/c1-10(2)7-20-8-12(9-21)14(19-20)11-4-3-5-13(6-11)15(16,17)18/h3-6,8-10H,7H2,1-2H3
InChIKeyFRWOTBUXTXTZPH-UHFFFAOYSA-N
XLogP4.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 83216484
3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145832
3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43328609
3-(4-fluoro-3-methoxyphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 82880118
3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 11069064
6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 133089648
3-(1-benzothiophen-7-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 107354818
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
3-(5-bromo-2-pyridinyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 114059311
3-(3-chlorophenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266481
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
3-(2-chloro-4-methylsulfanylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 82878478

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde (CID 43328598) is 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde is CC(C)Cn1cc(C=O)c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde?
The InChIKey is FRWOTBUXTXTZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10(2)7-20-8-12(9-21)14(19-20)11-4-3-5-13(6-11)15(16,17)18/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde?
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde has a molecular weight of 296.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 43328598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).