1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde

C10H6F2N2O — CID 24692431

IUPAC1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C10H6F2N2O/c11-8-1-2-10(9(12)3-8)14-5-7(6-15)4-13-14/h1-6H
InChIKeyKHJNQQRBDAAYEF-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.96
Rot. Bonds2

About 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde

1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 24692431) has the molecular formula C10H6F2N2O and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
PubChem CID24692431
Molecular FormulaC10H6F2N2O
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C10H6F2N2O/c11-8-1-2-10(9(12)3-8)14-5-7(6-15)4-13-14/h1-6H
InChIKeyKHJNQQRBDAAYEF-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.96
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-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde (CID 24692431) is 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cnn(-c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is KHJNQQRBDAAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O/c11-8-1-2-10(9(12)3-8)14-5-7(6-15)4-13-14/h1-6H.
What are the key properties of 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 208.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 24692431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).