1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde

C7H7F3N2O — CID 64566567

IUPAC1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)1-2-12-4-6(5-13)3-11-12/h3-5H,1-2H2
InChIKeyQGJKBIDBWXGIMQ-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.65
Rot. Bonds3

About 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde

1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde (PubChem CID 64566567) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde
PubChem CID64566567
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CCC(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)1-2-12-4-6(5-13)3-11-12/h3-5H,1-2H2
InChIKeyQGJKBIDBWXGIMQ-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.65
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-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde (CID 64566567) is 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde is O=Cc1cnn(CCC(F)(F)F)c1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde?
The InChIKey is QGJKBIDBWXGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)1-2-12-4-6(5-13)3-11-12/h3-5H,1-2H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde?
1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde has a molecular weight of 192.14 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 64566567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).