1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde

C11H6ClF3N2O — CID 139675375

IUPAC1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H6ClF3N2O/c12-7-2-1-3-9(4-7)17-10(11(13,14)15)5-8(6-18)16-17/h1-6H
InChIKeyUZVWZNZFIOBNAI-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.36
Rot. Bonds2

About 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde

1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde (PubChem CID 139675375) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde
PubChem CID139675375
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H6ClF3N2O/c12-7-2-1-3-9(4-7)17-10(11(13,14)15)5-8(6-18)16-17/h1-6H
InChIKeyUZVWZNZFIOBNAI-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.36
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-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]benzaldehyde
CID 18449041
5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 43156610
2-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]acetaldehyde
CID 125484858
2-(3-chlorophenyl)-1,2,4-triazole-3-carbaldehyde
CID 174648512
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
CID 82419687
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115037644
3-(3-chlorophenyl)-5-ethyltriazole-4-carbaldehyde
CID 105497106
1-(3-iodophenyl)-5-methylpyrazole-3-carbaldehyde
CID 139675334
4-(3-chlorophenyl)-1,2,4-triazole-3-carbaldehyde
CID 83883531

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde (CID 139675375) is 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde is O=Cc1cc(C(F)(F)F)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
The InChIKey is UZVWZNZFIOBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-7-2-1-3-9(4-7)17-10(11(13,14)15)5-8(6-18)16-17/h1-6H.
What are the key properties of 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde?
1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde has a molecular weight of 274.63 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 139675375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).