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

C16H16F2N2O — CID 43805597

IUPAC3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2F)nc1C1CCCCC1
InChIInChI=1S/C16H16F2N2O/c17-13-6-7-15(14(18)8-13)20-9-12(10-21)16(19-20)11-4-2-1-3-5-11/h6-11H,1-5H2
InChIKeyPLJFOJFXZBNUHN-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.01
Rot. Bonds3

About 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde

3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 43805597) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
PubChem CID43805597
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2F)nc1C1CCCCC1
InChIInChI=1S/C16H16F2N2O/c17-13-6-7-15(14(18)8-13)20-9-12(10-21)16(19-20)11-4-2-1-3-5-11/h6-11H,1-5H2
InChIKeyPLJFOJFXZBNUHN-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.01
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 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde (CID 43805597) is 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(F)cc2F)nc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is PLJFOJFXZBNUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-13-6-7-15(14(18)8-13)20-9-12(10-21)16(19-20)11-4-2-1-3-5-11/h6-11H,1-5H2.
What are the key properties of 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde?
3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 290.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43805597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).