1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde

C7H7F3N2O — CID 28875390

IUPAC1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
SMILESCc1c(C(F)(F)F)c(C=O)nn1C
InChIInChI=1S/C7H7F3N2O/c1-4-6(7(8,9)10)5(3-13)11-12(4)2/h3H,1-2H3
InChIKeyWFRDWGJXNZVNDT-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.56
Rot. Bonds1

About 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde

1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde (PubChem CID 28875390) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
PubChem CID28875390
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
SMILESCc1c(C(F)(F)F)c(C=O)nn1C
InChIInChI=1S/C7H7F3N2O/c1-4-6(7(8,9)10)5(3-13)11-12(4)2/h3H,1-2H3
InChIKeyWFRDWGJXNZVNDT-UHFFFAOYSA-N
XLogP1.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde (CID 28875390) is 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde is Cc1c(C(F)(F)F)c(C=O)nn1C.
What is the InChIKey of 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde?
The InChIKey is WFRDWGJXNZVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4-6(7(8,9)10)5(3-13)11-12(4)2/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde?
1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde has a molecular weight of 192.14 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 28875390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).